2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide

C15H13BrClNO — CID 731571

IUPAC2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccccc2Br)c(Cl)c1
InChIInChI=1S/C15H13BrClNO/c1-9-7-10(2)14(13(17)8-9)18-15(19)11-5-3-4-6-12(11)16/h3-8H,1-2H3,(H,18,19)
InChIKeyJQQORCGASIUVJV-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.97
Rot. Bonds2

About 2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide

2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide (PubChem CID 731571) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
PubChem CID731571
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccccc2Br)c(Cl)c1
InChIInChI=1S/C15H13BrClNO/c1-9-7-10(2)14(13(17)8-9)18-15(19)11-5-3-4-6-12(11)16/h3-8H,1-2H3,(H,18,19)
InChIKeyJQQORCGASIUVJV-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide
CID 113205562
N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide
CID 106501147
2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide
CID 103819127
4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide
CID 19205247
N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
CID 7749916
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide
CID 100828548
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide (CID 731571) is 2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2ccccc2Br)c(Cl)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide?
The InChIKey is JQQORCGASIUVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-9-7-10(2)14(13(17)8-9)18-15(19)11-5-3-4-6-12(11)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide?
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide has a molecular weight of 338.63 g/mol, XLogP of 4.97, 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-chloro-4,6-dimethylphenyl)benzamide is sourced from PubChem (CID 731571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).