3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide

C12H7BrCl2N2O — CID 107999613

IUPAC3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
SMILESO=C(Nc1ccnc(Cl)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H7BrCl2N2O/c13-9-5-7(1-2-10(9)14)12(18)17-8-3-4-16-11(15)6-8/h1-6H,(H,16,17,18)
InChIKeyDTDKRVBMIXNSOQ-UHFFFAOYSA-N
MW346.01 g/mol
LogP4.40
Rot. Bonds2

About 3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide

3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide (PubChem CID 107999613) has the molecular formula C12H7BrCl2N2O and a molecular weight of 346.01 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
PubChem CID107999613
Molecular FormulaC12H7BrCl2N2O
Molecular Weight346.01 g/mol
Exact Mass343.91
IUPAC Name3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
SMILESO=C(Nc1ccnc(Cl)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H7BrCl2N2O/c13-9-5-7(1-2-10(9)14)12(18)17-8-3-4-16-11(15)6-8/h1-6H,(H,16,17,18)
InChIKeyDTDKRVBMIXNSOQ-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.01
LogP ≤ 54.40
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

3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414
3-bromo-N-(2-chloro-4-pyridinyl)-4-fluorobenzamide
CID 107952988
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 113330232
N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine
CID 102824308
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876
3-bromo-4-chloro-N-(3-fluorophenyl)benzamide
CID 107999213
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107999380
3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
CID 107999621
3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 107999233

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide (CID 107999613) is 3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide is O=C(Nc1ccnc(Cl)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide?
The InChIKey is DTDKRVBMIXNSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O/c13-9-5-7(1-2-10(9)14)12(18)17-8-3-4-16-11(15)6-8/h1-6H,(H,16,17,18).
What are the key properties of 3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide?
3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide has a molecular weight of 346.01 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide is sourced from PubChem (CID 107999613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).