(E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide

C15H13ClN2O — CID 47299986

IUPAC(E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)NCc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O/c16-13-5-3-4-12(10-13)11-18-15(19)8-7-14-6-1-2-9-17-14/h1-10H,11H2,(H,18,19)/b8-7+
InChIKeyCDCQBFJXRDVXGR-BQYQJAHWSA-N
MW272.74 g/mol
LogP3.06
Rot. Bonds4

About (E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide

(E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide (PubChem CID 47299986) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide
PubChem CID47299986
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)NCc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O/c16-13-5-3-4-12(10-13)11-18-15(19)8-7-14-6-1-2-9-17-14/h1-10H,11H2,(H,18,19)/b8-7+
InChIKeyCDCQBFJXRDVXGR-BQYQJAHWSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[(3-chlorophenyl)methyl]-3-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

3-[(3-pyridin-2-ylprop-2-enoylamino)methyl]benzoic acid
CID 126802887
(E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide
CID 51333626
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]prop-2-enamide
CID 9209863
(E)-N-[(3-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2679732
3-(3,4-dichlorophenyl)-N-[[3-[[3-(3,4-dichlorophenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 3261410
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]prop-2-enamide
CID 76990323
4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide (CID 47299986) is (E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1ccccn1)NCc1cccc(Cl)c1.
What is the InChIKey of (E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide?
The InChIKey is CDCQBFJXRDVXGR-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-13-5-3-4-12(10-13)11-18-15(19)8-7-14-6-1-2-9-17-14/h1-10H,11H2,(H,18,19)/b8-7+.
What are the key properties of (E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide?
(E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide has a molecular weight of 272.74 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 47299986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).