2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide

C14H10BrCl2NO — CID 114023836

IUPAC2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1Br
InChIInChI=1S/C14H10BrCl2NO/c1-8-4-2-5-9(12(8)15)14(19)18-13-10(16)6-3-7-11(13)17/h2-7H,1H3,(H,18,19)
InChIKeyXGWCOPGVBIMMIY-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.32
Rot. Bonds2

About 2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide

2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide (PubChem CID 114023836) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
PubChem CID114023836
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1Br
InChIInChI=1S/C14H10BrCl2NO/c1-8-4-2-5-9(12(8)15)14(19)18-13-10(16)6-3-7-11(13)17/h2-7H,1H3,(H,18,19)
InChIKeyXGWCOPGVBIMMIY-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.05
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982593
2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide
CID 114074346
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982641
2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
CID 107982586
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
CID 104625899
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
N-(2-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
CID 2993699

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide (CID 114023836) is 2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1Br.
What is the InChIKey of 2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide?
The InChIKey is XGWCOPGVBIMMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c1-8-4-2-5-9(12(8)15)14(19)18-13-10(16)6-3-7-11(13)17/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide?
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide has a molecular weight of 359.05 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide is sourced from PubChem (CID 114023836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).