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

C17H15ClN4O2 — CID 108859644

IUPAC(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide
SMILESCN(/C=C(/C#N)C(=O)Nc1ccc(N)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C17H15ClN4O2/c1-22(13-3-5-14(23)6-4-13)10-11(9-19)17(24)21-12-2-7-16(20)15(18)8-12/h2-8,10,23H,20H2,1H3,(H,21,24)/b11-10-
InChIKeyQVNVGAJCGJHITR-KHPPLWFESA-N
MW342.79 g/mol
LogP3.11
Rot. Bonds4

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

(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide (PubChem CID 108859644) 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-(4-hydroxy-N-methylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide
PubChem CID108859644
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide
SMILESCN(/C=C(/C#N)C(=O)Nc1ccc(N)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C17H15ClN4O2/c1-22(13-3-5-14(23)6-4-13)10-11(9-19)17(24)21-12-2-7-16(20)15(18)8-12/h2-8,10,23H,20H2,1H3,(H,21,24)/b11-10-
InChIKeyQVNVGAJCGJHITR-KHPPLWFESA-N
XLogP3.11
TPSA102.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide
CID 108851968
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(propan-2-ylamino)prop-2-enamide
CID 108859278
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide
CID 108857931
(Z)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(N-methylanilino)prop-2-enamide
CID 108852267
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2-hydroxy-5-methylanilino)prop-2-enamide
CID 108859538
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(2,5-dichloroanilino)prop-2-enamide
CID 108859256
(Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide
CID 108856337
(Z)-3-(N-acetyl-4-aminoanilino)-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 108825750
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-[4-(dimethylamino)anilino]prop-2-enamide
CID 108821856
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-[4-(trifluoromethyl)anilino]prop-2-enamide
CID 108859834
(Z)-N-(4-amino-3-chlorophenyl)-3-(3-bromoanilino)-2-cyanoprop-2-enamide
CID 108859670
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-[(4-methylphenyl)methylamino]prop-2-enamide
CID 108859466

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide (CID 108859644) is (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide is CN(/C=C(/C#N)C(=O)Nc1ccc(N)c(Cl)c1)c1ccc(O)cc1.
What is the InChIKey of (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide?
The InChIKey is QVNVGAJCGJHITR-KHPPLWFESA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-22(13-3-5-14(23)6-4-13)10-11(9-19)17(24)21-12-2-7-16(20)15(18)8-12/h2-8,10,23H,20H2,1H3,(H,21,24)/b11-10-.
What are the key properties of (Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide?
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide has a molecular weight of 342.79 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 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-(4-hydroxy-N-methylanilino)prop-2-enamide is sourced from PubChem (CID 108859644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).