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

C16H17BrN2O — CID 35643780

IUPAC(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide
SMILESC[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11(13-8-5-9-14(17)10-13)19-15(16(18)20)12-6-3-2-4-7-12/h2-11,15,19H,1H3,(H2,18,20)/t11-,15+/m1/s1
InChIKeyUNSSBOBHLNQFDO-ABAIWWIYSA-N
MW333.23 g/mol
LogP3.33
Rot. Bonds5

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

(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide (PubChem CID 35643780) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide
PubChem CID35643780
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide
SMILESC[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11(13-8-5-9-14(17)10-13)19-15(16(18)20)12-6-3-2-4-7-12/h2-11,15,19H,1H3,(H2,18,20)/t11-,15+/m1/s1
InChIKeyUNSSBOBHLNQFDO-ABAIWWIYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-[[(1R)-1-(3-bromophenyl)ethyl]amino]-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-[1-(3-bromophenyl)ethylamino]-2-phenylacetamide
CID 56811839
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 81382347
2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
CID 86789547
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 96528244
2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999
3-[1-(3-bromophenyl)ethylamino]-2-methylbutanoic acid
CID 79391958
(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 104898206
methyl 2-[1-(3-bromophenyl)ethylamino]butanoate
CID 113292365
(2R)-2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-phenylacetamide
CID 94180432
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide (CID 35643780) is (2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide is C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of (2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide?
The InChIKey is UNSSBOBHLNQFDO-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11(13-8-5-9-14(17)10-13)19-15(16(18)20)12-6-3-2-4-7-12/h2-11,15,19H,1H3,(H2,18,20)/t11-,15+/m1/s1.
What are the key properties of (2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide?
(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide has a molecular weight of 333.23 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 35643780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).