(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide

C17H19ClN2O — CID 70832630

IUPAC(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
SMILESN[C@H](Cc1ccc(Cl)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c18-15-8-6-14(7-9-15)12-16(19)17(21)20-11-10-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)/t16-/m1/s1
InChIKeyOXIUZAPSBPDPIQ-MRXNPFEDSA-N
MW302.81 g/mol
LogP2.57
Rot. Bonds6

About (2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide

(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide (PubChem CID 70832630) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
PubChem CID70832630
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
SMILESN[C@H](Cc1ccc(Cl)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c18-15-8-6-14(7-9-15)12-16(19)17(21)20-11-10-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)/t16-/m1/s1
InChIKeyOXIUZAPSBPDPIQ-MRXNPFEDSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288372
(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
CID 78971343
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-chlorophenyl)propanoic acid
CID 175869880
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
(2S)-2-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]propanoic acid
CID 175952202

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide?
The IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide (CID 70832630) is (2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide is N[C@H](Cc1ccc(Cl)cc1)C(=O)NCCc1ccccc1.
What is the InChIKey of (2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide?
The InChIKey is OXIUZAPSBPDPIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-8-6-14(7-9-15)12-16(19)17(21)20-11-10-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide?
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide has a molecular weight of 302.81 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 70832630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).