2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide

C12H7Cl3N2O — CID 3454315

IUPAC2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3N2O/c13-7-3-4-8(9(14)6-7)12(18)17-10-2-1-5-16-11(10)15/h1-6H,(H,17,18)
InChIKeySPYVGWRHOYLXHE-UHFFFAOYSA-N
MW301.56 g/mol
LogP4.29
Rot. Bonds2

About 2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide

2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide (PubChem CID 3454315) has the molecular formula C12H7Cl3N2O and a molecular weight of 301.56 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
PubChem CID3454315
Molecular FormulaC12H7Cl3N2O
Molecular Weight301.56 g/mol
Exact Mass299.96
IUPAC Name2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3N2O/c13-7-3-4-8(9(14)6-7)12(18)17-10-2-1-5-16-11(10)15/h1-6H,(H,17,18)
InChIKeySPYVGWRHOYLXHE-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.56
LogP ≤ 54.29
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

2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 2134804
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
2,4-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 836075
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
CID 14209972
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-pyridinyl]benzamide
CID 23828920
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide (CID 3454315) is 2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide is O=C(Nc1cccnc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide?
The InChIKey is SPYVGWRHOYLXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O/c13-7-3-4-8(9(14)6-7)12(18)17-10-2-1-5-16-11(10)15/h1-6H,(H,17,18).
What are the key properties of 2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide?
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide has a molecular weight of 301.56 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 3454315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).