(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide

C17H19ClN2O — CID 61157254

IUPAC(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-12(14-9-6-10-15(18)11-14)20(2)17(21)16(19)13-7-4-3-5-8-13/h3-12,16H,19H2,1-2H3/t12?,16-/m1/s1
InChIKeyGOMIKQDUKCQPMV-PVQCJRHBSA-N
MW302.81 g/mol
LogP3.56
Rot. Bonds4

About (2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide

(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide (PubChem CID 61157254) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
PubChem CID61157254
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-12(14-9-6-10-15(18)11-14)20(2)17(21)16(19)13-7-4-3-5-8-13/h3-12,16H,19H2,1-2H3/t12?,16-/m1/s1
InChIKeyGOMIKQDUKCQPMV-PVQCJRHBSA-N
XLogP3.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731
2-carbamothioyl-N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 62984154
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
2-amino-N-methyl-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 75511591
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-phenylacetamide
CID 60953156
4-[1-(3-chlorophenyl)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992749
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
N-[1-(3-chlorophenyl)ethyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62852041
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
5-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935268

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide (CID 61157254) is (2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide is CC(c1cccc(Cl)c1)N(C)C(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide?
The InChIKey is GOMIKQDUKCQPMV-PVQCJRHBSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(14-9-6-10-15(18)11-14)20(2)17(21)16(19)13-7-4-3-5-8-13/h3-12,16H,19H2,1-2H3/t12?,16-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide?
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide has a molecular weight of 302.81 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 61157254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).