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

C16H17ClN2O — CID 104897669

IUPAC(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)[C@@H](N)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/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
InChIKeyFLBBRXZMJXLRLT-MHTVFEQDSA-N
MW288.78 g/mol
LogP3.22
Rot. Bonds4

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

(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide (PubChem CID 104897669) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide
PubChem CID104897669
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)[C@@H](N)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/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
InChIKeyFLBBRXZMJXLRLT-MHTVFEQDSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.22
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
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide
CID 81359115
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119320621
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 104898206
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide (CID 104897669) is (2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide is CC(NC(=O)[C@@H](N)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide?
The InChIKey is FLBBRXZMJXLRLT-MHTVFEQDSA-N. The full InChI is InChI=1S/C16H17ClN2O/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 (2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide?
(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide has a molecular weight of 288.78 g/mol, XLogP of 3.22, 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-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 104897669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).