(Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide

C11H10ClN3O — CID 108860844

IUPAC(Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide
SMILESCN/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O/c1-14-7-8(6-13)11(16)15-10-4-2-9(12)3-5-10/h2-5,7,14H,1H3,(H,15,16)/b8-7-
InChIKeyCFUNWLUERXCQKW-FPLPWBNLSA-N
MW235.67 g/mol
LogP1.91
Rot. Bonds3

About (Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide

(Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide (PubChem CID 108860844) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is (Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide
PubChem CID108860844
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name(Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide
SMILESCN/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O/c1-14-7-8(6-13)11(16)15-10-4-2-9(12)3-5-10/h2-5,7,14H,1H3,(H,15,16)/b8-7-
InChIKeyCFUNWLUERXCQKW-FPLPWBNLSA-N
XLogP1.91
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-acetylphenyl)-2-cyano-3-(methylamino)prop-2-enamide
CID 108856416
2-[[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]amino]-3-methylbutanoic acid
CID 108860727
(Z)-N-(4-chlorophenyl)-2-cyano-3-(3-hydroxypropylamino)prop-2-enamide
CID 108860826
(Z)-N-(4-chlorophenyl)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108860839
(Z)-N-(4-aminophenyl)-3-[(4-chlorophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108817977
3-[[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
CID 108860648
methyl 3-[[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate
CID 108860971
(Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108860870
N-(4-chlorophenyl)-2-cyano-3-(2-methylphenyl)prop-2-enamide
CID 2865855
(Z)-N-(4-chlorophenyl)-2-cyano-3-(3,4-diethoxyanilino)prop-2-enamide
CID 108860789
(Z)-3-(5-chloro-2-methylanilino)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 108817259
(Z)-3-(3-chloro-4-fluoroanilino)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 108817414

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide (CID 108860844) is (Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide is CN/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide?
The InChIKey is CFUNWLUERXCQKW-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-14-7-8(6-13)11(16)15-10-4-2-9(12)3-5-10/h2-5,7,14H,1H3,(H,15,16)/b8-7-.
What are the key properties of (Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide?
(Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide has a molecular weight of 235.67 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide is sourced from PubChem (CID 108860844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).