(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide

C19H21ClN2O2 — CID 8751486

IUPAC(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-13(15-8-10-17(20)11-9-15)21-19(24)12-18(22-14(2)23)16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3,(H,21,24)(H,22,23)/t13-,18-/m0/s1
InChIKeyFIZCSOWOFUBNKK-UGSOOPFHSA-N
MW344.84 g/mol
LogP3.78
Rot. Bonds6

About (3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide

(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide (PubChem CID 8751486) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
PubChem CID8751486
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-13(15-8-10-17(20)11-9-15)21-19(24)12-18(22-14(2)23)16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3,(H,21,24)(H,22,23)/t13-,18-/m0/s1
InChIKeyFIZCSOWOFUBNKK-UGSOOPFHSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-acetamido-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-phenylpropanamide
CID 9164771
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 2530467
(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 39964074
(3R)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 41358102
3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46691683
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689
3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
CID 78776290
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
CID 126003498

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide (CID 8751486) is (3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide is CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is FIZCSOWOFUBNKK-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13(15-8-10-17(20)11-9-15)21-19(24)12-18(22-14(2)23)16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3,(H,21,24)(H,22,23)/t13-,18-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide?
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 344.84 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 8751486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).