3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide

C12H9BrClN3O — CID 114052917

IUPAC3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
SMILESCc1cc(Cl)nc(NC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C12H9BrClN3O/c1-7-5-10(14)16-12(15-7)17-11(18)8-3-2-4-9(13)6-8/h2-6H,1H3,(H,15,16,17,18)
InChIKeyBNQZZHBSBJQRJN-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About 3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide

3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide (PubChem CID 114052917) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
PubChem CID114052917
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
SMILESCc1cc(Cl)nc(NC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C12H9BrClN3O/c1-7-5-10(14)16-12(15-7)17-11(18)8-3-2-4-9(13)6-8/h2-6H,1H3,(H,15,16,17,18)
InChIKeyBNQZZHBSBJQRJN-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 103916876
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]benzamide
CID 108765874
2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052927
N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114053411
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
CID 114053555
3-bromo-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 115669415
2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide
CID 114052924
3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide
CID 26121561
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
CID 114053375
2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114037403
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
CID 43557486

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide (CID 114052917) is 3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide is Cc1cc(Cl)nc(NC(=O)c2cccc(Br)c2)n1.
What is the InChIKey of 3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide?
The InChIKey is BNQZZHBSBJQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-5-10(14)16-12(15-7)17-11(18)8-3-2-4-9(13)6-8/h2-6H,1H3,(H,15,16,17,18).
What are the key properties of 3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide?
3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide has a molecular weight of 326.58 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 114052917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).