2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide

C16H17BrN2O — CID 81359115

IUPAC2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide
SMILESC[C@H](NC(=O)C(N)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-11(12-7-9-14(17)10-8-12)19-16(20)15(18)13-5-3-2-4-6-13/h2-11,15H,18H2,1H3,(H,19,20)/t11-,15?/m0/s1
InChIKeyPCHXVQWGCFULNS-VPHXOMNUSA-N
MW333.23 g/mol
LogP3.33
Rot. Bonds4

About 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide

2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide (PubChem CID 81359115) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide
PubChem CID81359115
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide
SMILESC[C@H](NC(=O)C(N)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-11(12-7-9-14(17)10-8-12)19-16(20)15(18)13-5-3-2-4-6-13/h2-11,15H,18H2,1H3,(H,19,20)/t11-,15?/m0/s1
InChIKeyPCHXVQWGCFULNS-VPHXOMNUSA-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

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Related Compounds

2-amino-2-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119269403
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 104897669
(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 104898206
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119320621
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291026
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide (CID 81359115) is 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide is C[C@H](NC(=O)C(N)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide?
The InChIKey is PCHXVQWGCFULNS-VPHXOMNUSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11(12-7-9-14(17)10-8-12)19-16(20)15(18)13-5-3-2-4-6-13/h2-11,15H,18H2,1H3,(H,19,20)/t11-,15?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide?
2-amino-N-[(1S)-1-(4-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 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 81359115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).