2-acetamido-N-(2-chloro-3-pyridinyl)benzamide

C14H12ClN3O2 — CID 13143772

IUPAC2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
SMILESCC(=O)Nc1ccccc1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H12ClN3O2/c1-9(19)17-11-6-3-2-5-10(11)14(20)18-12-7-4-8-16-13(12)15/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyVHSHLEODJHQOSX-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.95
Rot. Bonds3

About 2-acetamido-N-(2-chloro-3-pyridinyl)benzamide

2-acetamido-N-(2-chloro-3-pyridinyl)benzamide (PubChem CID 13143772) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-acetamido-N-(2-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
PubChem CID13143772
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
SMILESCC(=O)Nc1ccccc1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H12ClN3O2/c1-9(19)17-11-6-3-2-5-10(11)14(20)18-12-7-4-8-16-13(12)15/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyVHSHLEODJHQOSX-UHFFFAOYSA-N
XLogP2.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide
CID 86612636
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
CID 14209972
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
N-acetyl-2-chloropyridine-3-carboxamide
CID 61215997

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-chloro-3-pyridinyl)benzamide?
The IUPAC name of 2-acetamido-N-(2-chloro-3-pyridinyl)benzamide (CID 13143772) is 2-acetamido-N-(2-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 2-acetamido-N-(2-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 2-acetamido-N-(2-chloro-3-pyridinyl)benzamide is CC(=O)Nc1ccccc1C(=O)Nc1cccnc1Cl.
What is the InChIKey of 2-acetamido-N-(2-chloro-3-pyridinyl)benzamide?
The InChIKey is VHSHLEODJHQOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-9(19)17-11-6-3-2-5-10(11)14(20)18-12-7-4-8-16-13(12)15/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-acetamido-N-(2-chloro-3-pyridinyl)benzamide?
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide has a molecular weight of 289.72 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 13143772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).