(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide

C22H21ClN2O — CID 97283539

IUPAC(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
SMILESO=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCCc1cccnc1
InChIInChI=1S/C22H21ClN2O/c23-20-10-4-9-19(14-20)21(18-7-2-1-3-8-18)15-22(26)25-13-11-17-6-5-12-24-16-17/h1-10,12,14,16,21H,11,13,15H2,(H,25,26)/t21-/m0/s1
InChIKeyJBRZHMKPQWINRU-NRFANRHFSA-N
MW364.88 g/mol
LogP4.62
Rot. Bonds7

About (3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide

(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide (PubChem CID 97283539) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is (3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
PubChem CID97283539
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
SMILESO=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCCc1cccnc1
InChIInChI=1S/C22H21ClN2O/c23-20-10-4-9-19(14-20)21(18-7-2-1-3-8-18)15-22(26)25-13-11-17-6-5-12-24-16-17/h1-10,12,14,16,21H,11,13,15H2,(H,25,26)/t21-/m0/s1
InChIKeyJBRZHMKPQWINRU-NRFANRHFSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 25375954
(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42533121
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
3-(3-chlorophenyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 45193216
3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 45195362
N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110416583
(3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
CID 97275845
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 25301507
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide?
The IUPAC name of (3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide (CID 97283539) is (3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for (3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide?
The canonical SMILES for (3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide is O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCCc1cccnc1.
What is the InChIKey of (3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide?
The InChIKey is JBRZHMKPQWINRU-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21ClN2O/c23-20-10-4-9-19(14-20)21(18-7-2-1-3-8-18)15-22(26)25-13-11-17-6-5-12-24-16-17/h1-10,12,14,16,21H,11,13,15H2,(H,25,26)/t21-/m0/s1.
What are the key properties of (3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide?
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide has a molecular weight of 364.88 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 97283539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).