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

C13H10BrClN2O2 — CID 112739552

IUPAC2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)cc2Br)ccn1
InChIInChI=1S/C13H10BrClN2O2/c1-19-12-7-9(4-5-16-12)17-13(18)10-3-2-8(15)6-11(10)14/h2-7H,1H3,(H,16,17,18)
InChIKeyQORWNGOPASCHPK-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.76
Rot. Bonds3

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

2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide (PubChem CID 112739552) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide
PubChem CID112739552
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)cc2Br)ccn1
InChIInChI=1S/C13H10BrClN2O2/c1-19-12-7-9(4-5-16-12)17-13(18)10-3-2-8(15)6-11(10)14/h2-7H,1H3,(H,16,17,18)
InChIKeyQORWNGOPASCHPK-UHFFFAOYSA-N
XLogP3.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-methoxy-4-pyridinyl)pyridine-3-carboxamide
CID 112739518
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide
CID 112739550
N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
CID 103763178
N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
CID 103806405
3-bromo-5-chloro-N-(4-chlorophenyl)-2-methoxybenzamide
CID 67556921
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 103763941
2-bromo-4-chloro-N-pyrazin-2-ylbenzamide
CID 104853699
N-(4-bromo-3-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110863112
N-(4-chloro-2-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110859208

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide (CID 112739552) is 2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide is COc1cc(NC(=O)c2ccc(Cl)cc2Br)ccn1.
What is the InChIKey of 2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide?
The InChIKey is QORWNGOPASCHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c1-19-12-7-9(4-5-16-12)17-13(18)10-3-2-8(15)6-11(10)14/h2-7H,1H3,(H,16,17,18).
What are the key properties of 2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide?
2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide has a molecular weight of 341.59 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide is sourced from PubChem (CID 112739552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).