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

C12H8BrCl2N3O — CID 114074346

IUPAC2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(Cl)ncnc2Cl)c1Br
InChIInChI=1S/C12H8BrCl2N3O/c1-6-3-2-4-7(8(6)13)12(19)18-9-10(14)16-5-17-11(9)15/h2-5H,1H3,(H,18,19)
InChIKeyDTCDTVYPVLANOJ-UHFFFAOYSA-N
MW361.03 g/mol
LogP4.11
Rot. Bonds2

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

2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide (PubChem CID 114074346) has the molecular formula C12H8BrCl2N3O and a molecular weight of 361.03 g/mol. Its IUPAC name is 2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide
PubChem CID114074346
Molecular FormulaC12H8BrCl2N3O
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC Name2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(Cl)ncnc2Cl)c1Br
InChIInChI=1S/C12H8BrCl2N3O/c1-6-3-2-4-7(8(6)13)12(19)18-9-10(14)16-5-17-11(9)15/h2-5H,1H3,(H,18,19)
InChIKeyDTCDTVYPVLANOJ-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

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Related Compounds

2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982593
2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
CID 107982586
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982641
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide
CID 114050120
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 113339739
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
CID 104625899
3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide
CID 114049601

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide (CID 114074346) is 2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2c(Cl)ncnc2Cl)c1Br.
What is the InChIKey of 2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide?
The InChIKey is DTCDTVYPVLANOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N3O/c1-6-3-2-4-7(8(6)13)12(19)18-9-10(14)16-5-17-11(9)15/h2-5H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide?
2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-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 2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide is sourced from PubChem (CID 114074346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).