N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide

C15H13BrClNO — CID 106509671

IUPACN-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C)c2Br)c(Cl)c1
InChIInChI=1S/C15H13BrClNO/c1-9-6-7-11(12(17)8-9)15(19)18-13-5-3-4-10(2)14(13)16/h3-8H,1-2H3,(H,18,19)
InChIKeyXZCCNRATIMUPCL-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.97
Rot. Bonds2

About N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide

N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide (PubChem CID 106509671) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide
PubChem CID106509671
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C)c2Br)c(Cl)c1
InChIInChI=1S/C15H13BrClNO/c1-9-6-7-11(12(17)8-9)15(19)18-13-5-3-4-10(2)14(13)16/h3-8H,1-2H3,(H,18,19)
InChIKeyXZCCNRATIMUPCL-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-iodophenyl)-4-methylbenzamide
CID 106491010
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507
N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide
CID 106860442
4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide
CID 82833101
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-(5-amino-2-methylphenyl)-2-chloro-4-methylbenzamide
CID 106860345
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670586
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
CID 106509648
N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide
CID 104870934

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide (CID 106509671) is N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C)c2Br)c(Cl)c1.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide?
The InChIKey is XZCCNRATIMUPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-9-6-7-11(12(17)8-9)15(19)18-13-5-3-4-10(2)14(13)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide?
N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide 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 N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106509671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).