N-(2-bromo-4-methylphenyl)-3-phenylpropanamide

C16H16BrNO — CID 730069

IUPACN-(2-bromo-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)CCc2ccccc2)c(Br)c1
InChIInChI=1S/C16H16BrNO/c1-12-7-9-15(14(17)11-12)18-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19)
InChIKeyZVUFATGSOOQKRN-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.33
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-3-phenylpropanamide

N-(2-bromo-4-methylphenyl)-3-phenylpropanamide (PubChem CID 730069) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-phenylpropanamide
PubChem CID730069
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(2-bromo-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)CCc2ccccc2)c(Br)c1
InChIInChI=1S/C16H16BrNO/c1-12-7-9-15(14(17)11-12)18-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19)
InChIKeyZVUFATGSOOQKRN-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide
CID 109031851
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide
CID 39193717
N-(2-bromo-4-carbamothioylphenyl)-3-phenylpropanamide
CID 107789510
3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
CID 43011240
N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide
CID 108947405
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-(2-bromo-4-methylphenyl)-3-phenylbutanamide
CID 47096965
N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide
CID 60564533
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-phenylpropanamide (CID 730069) is N-(2-bromo-4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-phenylpropanamide is Cc1ccc(NC(=O)CCc2ccccc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-phenylpropanamide?
The InChIKey is ZVUFATGSOOQKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-12-7-9-15(14(17)11-12)18-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-phenylpropanamide?
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide has a molecular weight of 318.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 730069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).