4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide

C13H10BrClN2O2 — CID 80973979

IUPAC4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
SMILESCn1cc(NC(=O)c2ccc(Br)c(Cl)c2)ccc1=O
InChIInChI=1S/C13H10BrClN2O2/c1-17-7-9(3-5-12(17)18)16-13(19)8-2-4-10(14)11(15)6-8/h2-7H,1H3,(H,16,19)
InChIKeyIXIXQVLEWILFLI-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.05
Rot. Bonds2

About 4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide

4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide (PubChem CID 80973979) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
PubChem CID80973979
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
SMILESCn1cc(NC(=O)c2ccc(Br)c(Cl)c2)ccc1=O
InChIInChI=1S/C13H10BrClN2O2/c1-17-7-9(3-5-12(17)18)16-13(19)8-2-4-10(14)11(15)6-8/h2-7H,1H3,(H,16,19)
InChIKeyIXIXQVLEWILFLI-UHFFFAOYSA-N
XLogP3.05
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 82832923
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47341998
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
2,4-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 110725053
3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 61151450
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide
CID 81005079
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide (CID 80973979) is 4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide is Cn1cc(NC(=O)c2ccc(Br)c(Cl)c2)ccc1=O.
What is the InChIKey of 4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The InChIKey is IXIXQVLEWILFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c1-17-7-9(3-5-12(17)18)16-13(19)8-2-4-10(14)11(15)6-8/h2-7H,1H3,(H,16,19).
What are the key properties of 4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide has a molecular weight of 341.59 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide is sourced from PubChem (CID 80973979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).