3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide

C12H8BrCl2N3O — CID 114049601

IUPAC3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C12H8BrCl2N3O/c1-6-7(3-2-4-8(6)13)12(19)18-11-9(14)10(15)16-5-17-11/h2-5H,1H3,(H,16,17,18,19)
InChIKeyOQGMAQZGZZHMGM-UHFFFAOYSA-N
MW361.03 g/mol
LogP4.11
Rot. Bonds2

About 3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide

3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide (PubChem CID 114049601) has the molecular formula C12H8BrCl2N3O and a molecular weight of 361.03 g/mol. Its IUPAC name is 3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide
PubChem CID114049601
Molecular FormulaC12H8BrCl2N3O
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC Name3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C12H8BrCl2N3O/c1-6-7(3-2-4-8(6)13)12(19)18-11-9(14)10(15)16-5-17-11/h2-5H,1H3,(H,16,17,18,19)
InChIKeyOQGMAQZGZZHMGM-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 3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide 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

N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide
CID 114050120
N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide
CID 114050146
2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide
CID 114074346
3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79035679
3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide
CID 107575045
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979
N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
CID 103706834
3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
CID 115659974
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 103975385
3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 83093710
2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide
CID 115540802

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide?
The IUPAC name of 3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide (CID 114049601) is 3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide is Cc1c(Br)cccc1C(=O)Nc1ncnc(Cl)c1Cl.
What is the InChIKey of 3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide?
The InChIKey is OQGMAQZGZZHMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N3O/c1-6-7(3-2-4-8(6)13)12(19)18-11-9(14)10(15)16-5-17-11/h2-5H,1H3,(H,16,17,18,19).
What are the key properties of 3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide?
3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide 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 3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide is sourced from PubChem (CID 114049601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).