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

C18H19ClN2O2 — CID 40939423

IUPAC(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-13(22)21-17(15-5-3-2-4-6-15)11-18(23)20-12-14-7-9-16(19)10-8-14/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyVDOORQQXEPSEAO-KRWDZBQOSA-N
MW330.82 g/mol
LogP3.22
Rot. Bonds6

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

(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide (PubChem CID 40939423) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
PubChem CID40939423
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-13(22)21-17(15-5-3-2-4-6-15)11-18(23)20-12-14-7-9-16(19)10-8-14/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyVDOORQQXEPSEAO-KRWDZBQOSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916
(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 9303942
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95352314
N-[4-[[(3-acetamido-3-phenylpropanoyl)amino]methyl]phenyl]butanamide
CID 55781577
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466203
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
3-acetamido-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-chlorophenyl)propanamide
CID 55428569
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
CID 110625359
3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide
CID 51256293

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide (CID 40939423) is (3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide is CC(=O)N[C@@H](CC(=O)NCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide?
The InChIKey is VDOORQQXEPSEAO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13(22)21-17(15-5-3-2-4-6-15)11-18(23)20-12-14-7-9-16(19)10-8-14/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22)/t17-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide?
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide has a molecular weight of 330.82 g/mol, XLogP of 3.22, 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-[(4-chlorophenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 40939423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).