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

C12H8BrCl2N3O — CID 114052927

IUPAC2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
SMILESCc1cc(Cl)nc(NC(=O)c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C12H8BrCl2N3O/c1-6-4-10(15)17-12(16-6)18-11(19)8-3-2-7(14)5-9(8)13/h2-5H,1H3,(H,16,17,18,19)
InChIKeyWRXYULQDTYHYHR-UHFFFAOYSA-N
MW361.03 g/mol
LogP4.11
Rot. Bonds2

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

2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide (PubChem CID 114052927) has the molecular formula C12H8BrCl2N3O and a molecular weight of 361.03 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
PubChem CID114052927
Molecular FormulaC12H8BrCl2N3O
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC Name2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
SMILESCc1cc(Cl)nc(NC(=O)c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C12H8BrCl2N3O/c1-6-4-10(15)17-12(16-6)18-11(19)8-3-2-7(14)5-9(8)13/h2-5H,1H3,(H,16,17,18,19)
InChIKeyWRXYULQDTYHYHR-UHFFFAOYSA-N
XLogP4.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.03
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide
CID 114052924
2-bromo-4-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114024558
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 103763238
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
CID 114053375
3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052917
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81024100
N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114053411
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
CID 62185060
4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide
CID 114052523
2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide
CID 107993837

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide (CID 114052927) is 2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide is Cc1cc(Cl)nc(NC(=O)c2ccc(Cl)cc2Br)n1.
What is the InChIKey of 2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide?
The InChIKey is WRXYULQDTYHYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N3O/c1-6-4-10(15)17-12(16-6)18-11(19)8-3-2-7(14)5-9(8)13/h2-5H,1H3,(H,16,17,18,19).
What are the key properties of 2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide?
2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide has a molecular weight of 361.03 g/mol, XLogP of 4.11, 2 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-(4-chloro-6-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 114052927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).