(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide

C19H21ClN2O2 — CID 51923223

IUPAC(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
SMILESCC(=O)N[C@H](CC(=O)NCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14(23)22-18(16-7-9-17(20)10-8-16)13-19(24)21-12-11-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyOJHKARIKMUFJQD-GOSISDBHSA-N
MW344.84 g/mol
LogP3.27
Rot. Bonds7

About (3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide

(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide (PubChem CID 51923223) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
PubChem CID51923223
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
SMILESCC(=O)N[C@H](CC(=O)NCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14(23)22-18(16-7-9-17(20)10-8-16)13-19(24)21-12-11-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyOJHKARIKMUFJQD-GOSISDBHSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide
CID 51256293
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide
CID 2604070
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
3-acetamido-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-chlorophenyl)propanamide
CID 42885719
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 52516198
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95352314
3-acetamido-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-chlorophenyl)propanamide
CID 55428569
3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46691683

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide?
The IUPAC name of (3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide (CID 51923223) is (3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for (3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide is CC(=O)N[C@H](CC(=O)NCCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide?
The InChIKey is OJHKARIKMUFJQD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14(23)22-18(16-7-9-17(20)10-8-16)13-19(24)21-12-11-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide?
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide has a molecular weight of 344.84 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 51923223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).