(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide

C19H20Cl2N2O2 — CID 2530467

IUPAC(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c1-12(16-9-8-15(20)10-17(16)21)22-19(25)11-18(23-13(2)24)14-6-4-3-5-7-14/h3-10,12,18H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-,18+/m1/s1
InChIKeyGUWGJNUBKOGMPY-XIKOKIGWSA-N
MW379.29 g/mol
LogP4.44
Rot. Bonds6

About (3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide

(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide (PubChem CID 2530467) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
PubChem CID2530467
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c1-12(16-9-8-15(20)10-17(16)21)22-19(25)11-18(23-13(2)24)14-6-4-3-5-7-14/h3-10,12,18H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-,18+/m1/s1
InChIKeyGUWGJNUBKOGMPY-XIKOKIGWSA-N
XLogP4.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.44
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
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
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
CID 78776290
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834173
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755619

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide (CID 2530467) is (3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide is CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is GUWGJNUBKOGMPY-XIKOKIGWSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-12(16-9-8-15(20)10-17(16)21)22-19(25)11-18(23-13(2)24)14-6-4-3-5-7-14/h3-10,12,18H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-,18+/m1/s1.
What are the key properties of (3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide?
(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 379.29 g/mol, XLogP of 4.44, 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-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 2530467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).