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CHEBI:91353 - 2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide

Default Structure
ChEBI IDCHEBI:91353
ChEBI Name2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
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DownloadsMolfile
FormulaC17H14ClF2IN2O2
Net Charge0
Average Mass478.664
Monoisotopic Mass477.97566
SMILESO=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl
InChIInChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
InChIKeyGFMMXOIFOQCCGU-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide (CHEBI:91353) has role antineoplastic agent (CHEBI:35610)
2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide (CHEBI:91353) is a aminobenzoic acid (CHEBI:22495)
2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide (CHEBI:91353) is a carbonyl compound (CHEBI:36586)
2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide (CHEBI:91353) is a organic molecular entity (CHEBI:50860)
2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide (CHEBI:91353) is a organohalogen compound (CHEBI:17792)
Synonyms  Source
ci-1040ChEMBL
Ci 1040ChEMBL
Ci-1040ChEMBL
PD-18435ChEMBL
PD-184352ChEMBL
Manual XrefsDatabases
LSM-1048LINCS
Citations