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

C16H16BrNO — CID 43845154

IUPAC2-bromo-N-(4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)C(Br)Cc2ccccc2)cc1
InChIInChI=1S/C16H16BrNO/c1-12-7-9-14(10-8-12)18-16(19)15(17)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,18,19)
InChIKeyIGYWINRKKRZDQL-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.94
Rot. Bonds4

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

2-bromo-N-(4-methylphenyl)-3-phenylpropanamide (PubChem CID 43845154) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-bromo-N-(4-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(4-methylphenyl)-3-phenylpropanamide
PubChem CID43845154
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-bromo-N-(4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)C(Br)Cc2ccccc2)cc1
InChIInChI=1S/C16H16BrNO/c1-12-7-9-14(10-8-12)18-16(19)15(17)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,18,19)
InChIKeyIGYWINRKKRZDQL-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide
CID 6940527
(2R)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide
CID 6940528
(3S)-4-anilino-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid
CID 761482
4-anilino-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid
CID 2853882
(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
CID 10248837
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
2-bromo-N-phenylpentanamide
CID 56980184
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
N-(4-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3913906
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of 2-bromo-N-(4-methylphenyl)-3-phenylpropanamide (CID 43845154) is 2-bromo-N-(4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-bromo-N-(4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-bromo-N-(4-methylphenyl)-3-phenylpropanamide is Cc1ccc(NC(=O)C(Br)Cc2ccccc2)cc1.
What is the InChIKey of 2-bromo-N-(4-methylphenyl)-3-phenylpropanamide?
The InChIKey is IGYWINRKKRZDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-12-7-9-14(10-8-12)18-16(19)15(17)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(4-methylphenyl)-3-phenylpropanamide?
2-bromo-N-(4-methylphenyl)-3-phenylpropanamide has a molecular weight of 318.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 43845154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).