(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide

C18H19ClN2O2 — CID 2665891

IUPAC(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-12-8-9-15(10-16(12)19)21-18(23)11-17(20-13(2)22)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyYEPQMVGSLPGSKP-QGZVFWFLSA-N
MW330.82 g/mol
LogP3.85
Rot. Bonds5

About (3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide

(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide (PubChem CID 2665891) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is (3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
PubChem CID2665891
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-12-8-9-15(10-16(12)19)21-18(23)11-17(20-13(2)22)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyYEPQMVGSLPGSKP-QGZVFWFLSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132866
(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141020
(3R)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141022
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
5-(3-chloro-4-methylanilino)-5-oxo-3-phenylpentanoic acid
CID 2826171
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide
CID 55762719
(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2564213
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide (CID 2665891) is (3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide is CC(=O)N[C@H](CC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide?
The InChIKey is YEPQMVGSLPGSKP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-8-9-15(10-16(12)19)21-18(23)11-17(20-13(2)22)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)/t17-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide?
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide has a molecular weight of 330.82 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2665891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).