N-(2-bromophenyl)-N-methyl-3-phenylpropanamide

C16H16BrNO — CID 66744699

IUPACN-(2-bromophenyl)-N-methyl-3-phenylpropanamide
SMILESCN(C(=O)CCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H16BrNO/c1-18(15-10-6-5-9-14(15)17)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyIHNOZZAHYRLNGI-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.04
Rot. Bonds4

About N-(2-bromophenyl)-N-methyl-3-phenylpropanamide

N-(2-bromophenyl)-N-methyl-3-phenylpropanamide (PubChem CID 66744699) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-methyl-3-phenylpropanamide
PubChem CID66744699
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(2-bromophenyl)-N-methyl-3-phenylpropanamide
SMILESCN(C(=O)CCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H16BrNO/c1-18(15-10-6-5-9-14(15)17)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyIHNOZZAHYRLNGI-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide
CID 66744923
5-(2-bromo-N-methylanilino)-5-oxopentanoic acid
CID 115163855
N-benzyl-2-[methyl(3-phenylpropanoyl)amino]benzamide
CID 3609594
N-(2-bromophenyl)-2-cyano-N-methylacetamide
CID 83548486
3-amino-N-(2-bromophenyl)-N-methylbutanamide
CID 115154147
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide
CID 60538754
N-chloro-N-methoxy-3-phenylpropanamide
CID 10443211
N-(2-bromopropyl)-N-methyl-3-phenylpropanamide
CID 80666025
3-(2-bromo-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 115164003
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of N-(2-bromophenyl)-N-methyl-3-phenylpropanamide (CID 66744699) is N-(2-bromophenyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-(2-bromophenyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-(2-bromophenyl)-N-methyl-3-phenylpropanamide is CN(C(=O)CCc1ccccc1)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N-methyl-3-phenylpropanamide?
The InChIKey is IHNOZZAHYRLNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-18(15-10-6-5-9-14(15)17)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of N-(2-bromophenyl)-N-methyl-3-phenylpropanamide?
N-(2-bromophenyl)-N-methyl-3-phenylpropanamide has a molecular weight of 318.21 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 66744699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).