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

C12H8Cl2N2O — CID 4245221

IUPAC2-chloro-N-(2-chloro-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1Cl)c1ccccc1Cl
InChIInChI=1S/C12H8Cl2N2O/c13-9-5-2-1-4-8(9)12(17)16-10-6-3-7-15-11(10)14/h1-7H,(H,16,17)
InChIKeyPVMURMHEXUQSJM-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.64
Rot. Bonds2

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

2-chloro-N-(2-chloro-3-pyridinyl)benzamide (PubChem CID 4245221) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-3-pyridinyl)benzamide
PubChem CID4245221
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name2-chloro-N-(2-chloro-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1Cl)c1ccccc1Cl
InChIInChI=1S/C12H8Cl2N2O/c13-9-5-2-1-4-8(9)12(17)16-10-6-3-7-15-11(10)14/h1-7H,(H,16,17)
InChIKeyPVMURMHEXUQSJM-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
CID 115930967
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-3-pyridinyl)benzamide?
The IUPAC name of 2-chloro-N-(2-chloro-3-pyridinyl)benzamide (CID 4245221) is 2-chloro-N-(2-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-chloro-3-pyridinyl)benzamide is O=C(Nc1cccnc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-chloro-3-pyridinyl)benzamide?
The InChIKey is PVMURMHEXUQSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-9-5-2-1-4-8(9)12(17)16-10-6-3-7-15-11(10)14/h1-7H,(H,16,17).
What are the key properties of 2-chloro-N-(2-chloro-3-pyridinyl)benzamide?
2-chloro-N-(2-chloro-3-pyridinyl)benzamide has a molecular weight of 267.12 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 4245221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).