N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide

C16H16BrNO — CID 28558064

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
SMILESC[C@H](NC(=O)Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H16BrNO/c1-12(14-8-5-9-15(17)11-14)18-16(19)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyIRLKYVQJEYNHQK-LBPRGKRZSA-N
MW318.21 g/mol
LogP3.87
Rot. Bonds4

About N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide

N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide (PubChem CID 28558064) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
PubChem CID28558064
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
SMILESC[C@H](NC(=O)Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H16BrNO/c1-12(14-8-5-9-15(17)11-14)18-16(19)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyIRLKYVQJEYNHQK-LBPRGKRZSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 53416015
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
N-[1-(3-bromophenyl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 107025803
2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133189879
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 55702572
5-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81372143
(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 104898206
3-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbutanamide
CID 64686188

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide (CID 28558064) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide is C[C@H](NC(=O)Cc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide?
The InChIKey is IRLKYVQJEYNHQK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-12(14-8-5-9-15(17)11-14)18-16(19)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide?
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide has a molecular weight of 318.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 28558064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).