4-(3-chloro-2-pyridinyl)-N-ethylbenzamide

C14H13ClN2O — CID 59673494

IUPAC4-(3-chloro-2-pyridinyl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-c2ncccc2Cl)cc1
InChIInChI=1S/C14H13ClN2O/c1-2-16-14(18)11-7-5-10(6-8-11)13-12(15)4-3-9-17-13/h3-9H,2H2,1H3,(H,16,18)
InChIKeyIAWDGSKSHZPHJO-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.15
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-N-ethylbenzamide

4-(3-chloro-2-pyridinyl)-N-ethylbenzamide (PubChem CID 59673494) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-ethylbenzamide
PubChem CID59673494
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name4-(3-chloro-2-pyridinyl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-c2ncccc2Cl)cc1
InChIInChI=1S/C14H13ClN2O/c1-2-16-14(18)11-7-5-10(6-8-11)13-12(15)4-3-9-17-13/h3-9H,2H2,1H3,(H,16,18)
InChIKeyIAWDGSKSHZPHJO-UHFFFAOYSA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-chloro-2-pyridinyl)-N-ethylbenzamide 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

4-(3-chloro-2-pyridinyl)-N-cyclopropylbenzamide
CID 59673165
4-(3-chloro-2-pyridinyl)-N-(4-phenylphenyl)benzamide
CID 11234504
4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide
CID 59673528
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 59672700
3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid
CID 59673354
4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide
CID 59673533
N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979
4-(3-chloro-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]benzamide
CID 86100465
3-amino-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741386
3-chloro-2-phenylpyridine;2-methylpropanoic acid
CID 174792779
4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 11245549

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-ethylbenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-ethylbenzamide (CID 59673494) is 4-(3-chloro-2-pyridinyl)-N-ethylbenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-ethylbenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-ethylbenzamide is CCNC(=O)c1ccc(-c2ncccc2Cl)cc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-ethylbenzamide?
The InChIKey is IAWDGSKSHZPHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-2-16-14(18)11-7-5-10(6-8-11)13-12(15)4-3-9-17-13/h3-9H,2H2,1H3,(H,16,18).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-ethylbenzamide?
4-(3-chloro-2-pyridinyl)-N-ethylbenzamide has a molecular weight of 260.72 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-ethylbenzamide is sourced from PubChem (CID 59673494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).