(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide

C17H15ClN4O2 — CID 108859538

IUPAC(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide
SMILESCc1ccc(O)c(N/C=C(/C#N)C(=O)Nc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C17H15ClN4O2/c1-10-2-5-16(23)15(6-10)21-9-11(8-19)17(24)22-12-3-4-14(20)13(18)7-12/h2-7,9,21,23H,20H2,1H3,(H,22,24)/b11-9-
InChIKeyOUYDVIYOCMDKQR-LUAWRHEFSA-N
MW342.79 g/mol
LogP3.39
Rot. Bonds4

About (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide

(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide (PubChem CID 108859538) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide
PubChem CID108859538
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide
SMILESCc1ccc(O)c(N/C=C(/C#N)C(=O)Nc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C17H15ClN4O2/c1-10-2-5-16(23)15(6-10)21-9-11(8-19)17(24)22-12-3-4-14(20)13(18)7-12/h2-7,9,21,23H,20H2,1H3,(H,22,24)/b11-9-
InChIKeyOUYDVIYOCMDKQR-LUAWRHEFSA-N
XLogP3.39
TPSA111.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-aminophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide
CID 108818080
(Z)-2-cyano-N-(4-fluorophenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide
CID 7708098
(Z)-2-cyano-3-(2-hydroxy-5-methylanilino)-N-(4-nitrophenyl)prop-2-enamide
CID 108853029
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2,5-dichloroanilino)prop-2-enamide
CID 108859256
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-[(4-methylphenyl)methylamino]prop-2-enamide
CID 108859466
(Z)-3-(5-chloro-2-hydroxyanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858598
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-methoxyanilino)prop-2-enamide
CID 108859232
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)prop-2-enamide
CID 108821755
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(propan-2-ylamino)prop-2-enamide
CID 108859278
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-[4-(trifluoromethyl)anilino]prop-2-enamide
CID 108859834
(Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide
CID 108856337
(Z)-N-(4-amino-3-chlorophenyl)-3-(3-bromoanilino)-2-cyanoprop-2-enamide
CID 108859670

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide (CID 108859538) is (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide is Cc1ccc(O)c(N/C=C(/C#N)C(=O)Nc2ccc(N)c(Cl)c2)c1.
What is the InChIKey of (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide?
The InChIKey is OUYDVIYOCMDKQR-LUAWRHEFSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-10-2-5-16(23)15(6-10)21-9-11(8-19)17(24)22-12-3-4-14(20)13(18)7-12/h2-7,9,21,23H,20H2,1H3,(H,22,24)/b11-9-.
What are the key properties of (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide?
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide has a molecular weight of 342.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide is sourced from PubChem (CID 108859538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).