(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide

C18H19ClN2O2 — CID 9165289

IUPAC(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-13(22)21-17(14-7-3-2-4-8-14)11-18(23)20-12-15-9-5-6-10-16(15)19/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyLQPNXPXPGWEPDJ-KRWDZBQOSA-N
MW330.82 g/mol
LogP3.22
Rot. Bonds6

About (3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide

(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide (PubChem CID 9165289) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
PubChem CID9165289
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-13(22)21-17(14-7-3-2-4-8-14)11-18(23)20-12-15-9-5-6-10-16(15)19/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyLQPNXPXPGWEPDJ-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

3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42931061
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
CID 9073272
(3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 41188300
3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide
CID 78810432
(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 9303942
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 17401242
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141
2-chloro-N-[(1S)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 93235676
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide (CID 9165289) is (3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide is CC(=O)N[C@@H](CC(=O)NCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
The InChIKey is LQPNXPXPGWEPDJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13(22)21-17(14-7-3-2-4-8-14)11-18(23)20-12-15-9-5-6-10-16(15)19/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-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
(3S)-3-acetamido-N-[(2-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-[(2-chlorophenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 9165289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).