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

C16H16Cl2N2O — CID 104897119

IUPAC(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)[C@@H](N)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-10(13-8-7-12(17)9-14(13)18)20-16(21)15(19)11-5-3-2-4-6-11/h2-10,15H,19H2,1H3,(H,20,21)/t10?,15-/m0/s1
InChIKeyGMEAVFMUMAETDR-WRXSAAJRSA-N
MW323.22 g/mol
LogP3.87
Rot. Bonds4

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

(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide (PubChem CID 104897119) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
PubChem CID104897119
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)[C@@H](N)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-10(13-8-7-12(17)9-14(13)18)20-16(21)15(19)11-5-3-2-4-6-11/h2-10,15H,19H2,1H3,(H,20,21)/t10?,15-/m0/s1
InChIKeyGMEAVFMUMAETDR-WRXSAAJRSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide
CID 122157159
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 104897669
(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834173
2-amino-2-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119269403

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide (CID 104897119) is (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide is CC(NC(=O)[C@@H](N)c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide?
The InChIKey is GMEAVFMUMAETDR-WRXSAAJRSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10(13-8-7-12(17)9-14(13)18)20-16(21)15(19)11-5-3-2-4-6-11/h2-10,15H,19H2,1H3,(H,20,21)/t10?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide?
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide has a molecular weight of 323.22 g/mol, XLogP of 3.87, 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-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 104897119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).