(Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide

C14H16ClN3O — CID 108835137

IUPAC(Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C/NCCCl)C(=O)NCCc1ccccc1
InChIInChI=1S/C14H16ClN3O/c15-7-9-17-11-13(10-16)14(19)18-8-6-12-4-2-1-3-5-12/h1-5,11,17H,6-9H2,(H,18,19)/b13-11-
InChIKeyJUJKVZKJTXWEFB-QBFSEMIESA-N
MW277.76 g/mol
LogP1.58
Rot. Bonds7

About (Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide

(Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide (PubChem CID 108835137) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is (Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide
PubChem CID108835137
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name(Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C/NCCCl)C(=O)NCCc1ccccc1
InChIInChI=1S/C14H16ClN3O/c15-7-9-17-11-13(10-16)14(19)18-8-6-12-4-2-1-3-5-12/h1-5,11,17H,6-9H2,(H,18,19)/b13-11-
InChIKeyJUJKVZKJTXWEFB-QBFSEMIESA-N
XLogP1.58
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-(3-chloropropyl)-2-cyano-3-(4-phenylbutylamino)prop-2-enamide
CID 108854339
(Z)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)prop-2-enamide
CID 108835304
3-[[(Z)-2-cyano-3-(2-phenylethylamino)prop-2-enoyl]amino]propanoic acid
CID 108817592
(Z)-2-cyano-3-(pentylamino)-N-(2-phenylethyl)prop-2-enamide
CID 108835187
6-[[(Z)-2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]amino]hexanoic acid
CID 108835113
(Z)-N-(2-chloroethyl)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]prop-2-enamide
CID 108854631
(Z)-3-[2-(3-bromophenyl)ethylamino]-N-(2-chloroethyl)-2-cyanoprop-2-enamide
CID 108854700
(Z)-3-(2-chloroethylamino)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 108836246
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-(2-phenylethyl)prop-2-enamide
CID 108835157
(Z)-N-(3-chloropropyl)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]prop-2-enamide
CID 108854258
(Z)-2-cyano-3-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)prop-2-enamide
CID 108835102
3-[[(Z)-2-cyano-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]amino]propanoic acid
CID 108829093

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide (CID 108835137) is (Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide is N#C/C(=C/NCCCl)C(=O)NCCc1ccccc1.
What is the InChIKey of (Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is JUJKVZKJTXWEFB-QBFSEMIESA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-7-9-17-11-13(10-16)14(19)18-8-6-12-4-2-1-3-5-12/h1-5,11,17H,6-9H2,(H,18,19)/b13-11-.
What are the key properties of (Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide?
(Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 277.76 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 108835137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).