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

C17H18BrNO — CID 81472098

IUPAC3-bromo-4-methyl-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C17H18BrNO/c1-3-4-13-6-9-15(10-7-13)19-17(20)14-8-5-12(2)16(18)11-14/h5-11H,3-4H2,1-2H3,(H,19,20)
InChIKeyVKVVSLVYUVKEDV-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.96
Rot. Bonds4

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

3-bromo-4-methyl-N-(4-propylphenyl)benzamide (PubChem CID 81472098) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(4-propylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(4-propylphenyl)benzamide
PubChem CID81472098
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-4-methyl-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C17H18BrNO/c1-3-4-13-6-9-15(10-7-13)19-17(20)14-8-5-12(2)16(18)11-14/h5-11H,3-4H2,1-2H3,(H,19,20)
InChIKeyVKVVSLVYUVKEDV-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-bromo-4-methyl-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
CID 17233516
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756
3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340213
3-amino-4-chloro-N-(4-propylphenyl)benzamide
CID 43378583
2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 108986891
3-bromo-4-methyl-N-[[4-[3-(methylamino)-3-oxopropyl]phenyl]carbamothioyl]benzamide
CID 54780937
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide
CID 4509095

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(4-propylphenyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(4-propylphenyl)benzamide (CID 81472098) is 3-bromo-4-methyl-N-(4-propylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(4-propylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(4-propylphenyl)benzamide is CCCc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-4-methyl-N-(4-propylphenyl)benzamide?
The InChIKey is VKVVSLVYUVKEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-3-4-13-6-9-15(10-7-13)19-17(20)14-8-5-12(2)16(18)11-14/h5-11H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 3-bromo-4-methyl-N-(4-propylphenyl)benzamide?
3-bromo-4-methyl-N-(4-propylphenyl)benzamide has a molecular weight of 332.24 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(4-propylphenyl)benzamide is sourced from PubChem (CID 81472098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).