(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide

C23H22N2O — CID 158843512

IUPAC(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C23H22N2O/c26-23(22-16-24-15-21(22)19-9-5-2-6-10-19)25-20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-14,21-22,24H,15-16H2,(H,25,26)/t21-,22+/m0/s1
InChIKeyCASQCHOEUAJVDY-FCHUYYIVSA-N
MW342.44 g/mol
LogP4.30
Rot. Bonds4

About (3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide

(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide (PubChem CID 158843512) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
PubChem CID158843512
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C23H22N2O/c26-23(22-16-24-15-21(22)19-9-5-2-6-10-19)25-20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-14,21-22,24H,15-16H2,(H,25,26)/t21-,22+/m0/s1
InChIKeyCASQCHOEUAJVDY-FCHUYYIVSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
CID 156839359
(3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 166790335
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
(3S,4R)-4-phenyl-N-[3-(pyridin-3-ylamino)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 162471027
(3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide
CID 156839533
(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 175826709
4-phenyl-N-[4-(2-phenylcyclopropyl)phenyl]benzamide
CID 144638374
(3S,4R)-N-[3-(oxan-4-yloxy)phenyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 161099251
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
CID 116675538
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 631039

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide (CID 158843512) is (3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CNC[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is CASQCHOEUAJVDY-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H22N2O/c26-23(22-16-24-15-21(22)19-9-5-2-6-10-19)25-20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-14,21-22,24H,15-16H2,(H,25,26)/t21-,22+/m0/s1.
What are the key properties of (3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide?
(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 158843512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).