(E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide

C21H17ClN2O — CID 889320

IUPAC(E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C21H17ClN2O/c22-19-12-9-17(10-13-19)11-14-21(25)24(20-8-4-5-15-23-20)16-18-6-2-1-3-7-18/h1-15H,16H2/b14-11+
InChIKeySRVIQYAARRITDK-SDNWHVSQSA-N
MW348.83 g/mol
LogP4.98
Rot. Bonds5

About (E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide

(E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 889320) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is (E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
PubChem CID889320
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name(E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C21H17ClN2O/c22-19-12-9-17(10-13-19)11-14-21(25)24(20-8-4-5-15-23-20)16-18-6-2-1-3-7-18/h1-15H,16H2/b14-11+
InChIKeySRVIQYAARRITDK-SDNWHVSQSA-N
XLogP4.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-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

Chloropyramine
CID 25295
Chloropyramine Hydrochloride
CID 80311
(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
2-(4-chlorophenyl)-N-(5-chloropyridin-2-yl)acetamide
CID 669846
2-(4-chlorophenyl)-N-(pyridin-2-yl)acetamide
CID 670085
Benzamide, N-(5-chloro-2-pyridinyl)-2-fluoro-
CID 36851
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)acrylamide
CID 800747
2-(4-chlorophenyl)-N-(4-chloropyridin-2-yl)acetamide
CID 898875
2-(4-chlorophenyl)-N-(5-methylpyridin-2-yl)acetamide
CID 903280
(3-Chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 932464
N-benzyl-2,2-dimethyl-N-(pyridin-2-yl)propanamide
CID 1122454
N-benzyl-2-(2-chloro-6-fluorophenyl)-N-2-pyridinylacetamide
CID 1241672

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide (CID 889320) is (E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of (E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is SRVIQYAARRITDK-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H17ClN2O/c22-19-12-9-17(10-13-19)11-14-21(25)24(20-8-4-5-15-23-20)16-18-6-2-1-3-7-18/h1-15H,16H2/b14-11+.
What are the key properties of (E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide?
(E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 348.83 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(4-chlorophenyl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 889320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).