N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide

C15H13BrClNO — CID 107583928

IUPACN-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H13BrClNO/c1-9-5-12(16)8-13(6-9)18-15(19)11-4-3-10(2)14(17)7-11/h3-8H,1-2H3,(H,18,19)
InChIKeyFHIBXHAIBLRSPE-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.97
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide

N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide (PubChem CID 107583928) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
PubChem CID107583928
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H13BrClNO/c1-9-5-12(16)8-13(6-9)18-15(19)11-4-3-10(2)14(17)7-11/h3-8H,1-2H3,(H,18,19)
InChIKeyFHIBXHAIBLRSPE-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

4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
CID 107583817
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-bromo-5-methylphenyl)-4-(propylamino)benzamide
CID 107578574
4-bromo-N-(3-chloro-4-methylphenyl)-3-hydroxybenzamide
CID 103830447

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide (CID 107583928) is N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide is Cc1cc(Br)cc(NC(=O)c2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide?
The InChIKey is FHIBXHAIBLRSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-9-5-12(16)8-13(6-9)18-15(19)11-4-3-10(2)14(17)7-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide?
N-(3-bromo-5-methylphenyl)-3-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-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide is sourced from PubChem (CID 107583928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).