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

C16H17BrN2O — CID 104898206

IUPAC(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
SMILESC[C@@H](NC(=O)[C@@H](N)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11(13-8-5-9-14(17)10-13)19-16(20)15(18)12-6-3-2-4-7-12/h2-11,15H,18H2,1H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyOTVZNXBRCJPMTO-ABAIWWIYSA-N
MW333.23 g/mol
LogP3.33
Rot. Bonds4

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

(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide (PubChem CID 104898206) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
PubChem CID104898206
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
SMILESC[C@@H](NC(=O)[C@@H](N)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11(13-8-5-9-14(17)10-13)19-16(20)15(18)12-6-3-2-4-7-12/h2-11,15H,18H2,1H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyOTVZNXBRCJPMTO-ABAIWWIYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-[(1R)-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

2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
CID 119285491
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide
CID 81359115
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308
(2S)-2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylpentanamide
CID 81376335
2-amino-2-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119269403
(2S)-2-acetamido-N-[(1R)-1-(3-bromophenyl)ethyl]propanamide
CID 94823421
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119320621
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
N-[1-(3-bromophenyl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 107025803
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide (CID 104898206) is (2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide is C[C@@H](NC(=O)[C@@H](N)c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of (2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide?
The InChIKey is OTVZNXBRCJPMTO-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11(13-8-5-9-14(17)10-13)19-16(20)15(18)12-6-3-2-4-7-12/h2-11,15H,18H2,1H3,(H,19,20)/t11-,15+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide?
(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide has a molecular weight of 333.23 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 104898206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).