(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide

C16H13ClN2O2 — CID 8022996

IUPAC(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide
SMILESCC(=O)/C(=C\c1ccccc1Cl)C(=O)Nc1ccccn1
InChIInChI=1S/C16H13ClN2O2/c1-11(20)13(10-12-6-2-3-7-14(12)17)16(21)19-15-8-4-5-9-18-15/h2-10H,1H3,(H,18,19,21)/b13-10+
InChIKeyKDARXICXDAUBJU-JLHYYAGUSA-N
MW300.75 g/mol
LogP3.35
Rot. Bonds4

About (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide

(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide (PubChem CID 8022996) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide
PubChem CID8022996
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide
SMILESCC(=O)/C(=C\c1ccccc1Cl)C(=O)Nc1ccccn1
InChIInChI=1S/C16H13ClN2O2/c1-11(20)13(10-12-6-2-3-7-14(12)17)16(21)19-15-8-4-5-9-18-15/h2-10H,1H3,(H,18,19,21)/b13-10+
InChIKeyKDARXICXDAUBJU-JLHYYAGUSA-N
XLogP3.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide 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

2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide
CID 11372587
2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide
CID 7970977
N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine
CID 134582179
2-[(2-chloro-3-pyridinyl)methylidene]-N,N'-diphenylpropanediamide
CID 87048269
pyridine;N-pyridin-2-ylacetamide
CID 67298573
N-(2-acetamidoethyl)-N'-pyridin-2-yloxamide
CID 108525945
(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 173270130
2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 54041980
N-(4-amino-2-chlorophenyl)-N'-pyridin-2-yloxamide
CID 108516076
prop-2-enyl 2-[(2-chlorophenyl)methylidene]-3-oxobutanoate
CID 70607922
(Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 749144
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide?
The IUPAC name of (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide (CID 8022996) is (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide.
What is the SMILES notation for (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide?
The canonical SMILES for (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide is CC(=O)/C(=C\c1ccccc1Cl)C(=O)Nc1ccccn1.
What is the InChIKey of (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide?
The InChIKey is KDARXICXDAUBJU-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-11(20)13(10-12-6-2-3-7-14(12)17)16(21)19-15-8-4-5-9-18-15/h2-10H,1H3,(H,18,19,21)/b13-10+.
What are the key properties of (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide?
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide has a molecular weight of 300.75 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 8022996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).