4-bromo-3-methyl-N-(4-methylphenyl)benzamide

C15H14BrNO — CID 113396750

IUPAC4-bromo-3-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C15H14BrNO/c1-10-3-6-13(7-4-10)17-15(18)12-5-8-14(16)11(2)9-12/h3-9H,1-2H3,(H,17,18)
InChIKeyKUKBFRUYTHWHPW-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.32
Rot. Bonds2

About 4-bromo-3-methyl-N-(4-methylphenyl)benzamide

4-bromo-3-methyl-N-(4-methylphenyl)benzamide (PubChem CID 113396750) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(4-methylphenyl)benzamide
PubChem CID113396750
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name4-bromo-3-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C15H14BrNO/c1-10-3-6-13(7-4-10)17-15(18)12-5-8-14(16)11(2)9-12/h3-9H,1-2H3,(H,17,18)
InChIKeyKUKBFRUYTHWHPW-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
CID 107583817
4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide
CID 145388897
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide
CID 115769554
4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 113338779
N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113021535
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
4-ethenyl-3-methyl-N-(4-methylphenyl)benzamide
CID 20735310

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(4-methylphenyl)benzamide (CID 113396750) is 4-bromo-3-methyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1.
What is the InChIKey of 4-bromo-3-methyl-N-(4-methylphenyl)benzamide?
The InChIKey is KUKBFRUYTHWHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-10-3-6-13(7-4-10)17-15(18)12-5-8-14(16)11(2)9-12/h3-9H,1-2H3,(H,17,18).
What are the key properties of 4-bromo-3-methyl-N-(4-methylphenyl)benzamide?
4-bromo-3-methyl-N-(4-methylphenyl)benzamide has a molecular weight of 304.19 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 113396750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).