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

C17H19ClN2O — CID 81375536

IUPAC3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide
SMILESC[C@@H](NC(=O)CC(N)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12(14-9-5-6-10-15(14)18)20-17(21)11-16(19)13-7-3-2-4-8-13/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12-,16?/m1/s1
InChIKeyBCQPPHJJNQKVKZ-ZGTOLYCTSA-N
MW302.81 g/mol
LogP3.61
Rot. Bonds5

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

3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide (PubChem CID 81375536) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide
PubChem CID81375536
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide
SMILESC[C@@H](NC(=O)CC(N)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12(14-9-5-6-10-15(14)18)20-17(21)11-16(19)13-7-3-2-4-8-13/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12-,16?/m1/s1
InChIKeyBCQPPHJJNQKVKZ-ZGTOLYCTSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949678
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
(3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide
CID 81378546
(3R)-3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 93104023

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide (CID 81375536) is 3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide is C[C@@H](NC(=O)CC(N)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is BCQPPHJJNQKVKZ-ZGTOLYCTSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(14-9-5-6-10-15(14)18)20-17(21)11-16(19)13-7-3-2-4-8-13/h2-10,12,16H,11,19H2,1H3,(H,20,21)/t12-,16?/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide?
3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 302.81 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 81375536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).