(Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide

C19H19ClN4O — CID 108859545

IUPAC(Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)Nc1ccc(N)cc1Cl)Cc1ccccc1
InChIInChI=1S/C19H19ClN4O/c1-2-24(12-14-6-4-3-5-7-14)13-15(11-21)19(25)23-18-9-8-16(22)10-17(18)20/h3-10,13H,2,12,22H2,1H3,(H,23,25)/b15-13-
InChIKeyLUCFPICAPPSLLH-SQFISAMPSA-N
MW354.84 g/mol
LogP3.79
Rot. Bonds6

About (Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide

(Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide (PubChem CID 108859545) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is (Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide
PubChem CID108859545
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name(Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)Nc1ccc(N)cc1Cl)Cc1ccccc1
InChIInChI=1S/C19H19ClN4O/c1-2-24(12-14-6-4-3-5-7-14)13-15(11-21)19(25)23-18-9-8-16(22)10-17(18)20/h3-10,13H,2,12,22H2,1H3,(H,23,25)/b15-13-
InChIKeyLUCFPICAPPSLLH-SQFISAMPSA-N
XLogP3.79
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 108824422
(Z)-N-(4-aminophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide
CID 108818084
(Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828890
(Z)-3-[benzyl(ethyl)amino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825168
(Z)-N-(4-amino-2-chlorophenyl)-3-[bis(2-methoxyethyl)amino]-2-cyanoprop-2-enamide
CID 108859647
(Z)-3-[benzyl(ethyl)amino]-2-cyano-N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 108860116
(Z)-3-[benzyl(ethyl)amino]-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide
CID 108857509
(Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108818087
(Z)-3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 108824426
(Z)-3-[benzyl(ethyl)amino]-2-cyano-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820694
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(ethylamino)prop-2-enamide
CID 108859513
(Z)-2-cyano-3-(dibenzylamino)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 108843352

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide (CID 108859545) is (Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide is CCN(/C=C(/C#N)C(=O)Nc1ccc(N)cc1Cl)Cc1ccccc1.
What is the InChIKey of (Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide?
The InChIKey is LUCFPICAPPSLLH-SQFISAMPSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-2-24(12-14-6-4-3-5-7-14)13-15(11-21)19(25)23-18-9-8-16(22)10-17(18)20/h3-10,13H,2,12,22H2,1H3,(H,23,25)/b15-13-.
What are the key properties of (Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide?
(Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide has a molecular weight of 354.84 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide is sourced from PubChem (CID 108859545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).