(3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide

C23H21FN2O — CID 166790335

IUPAC(3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CNC[C@@H]1c1ccccc1F
InChIInChI=1S/C23H21FN2O/c24-22-12-5-4-11-19(22)20-14-25-15-21(20)23(27)26-18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-13,20-21,25H,14-15H2,(H,26,27)/t20-,21+/m1/s1
InChIKeyYPHIMQPGWGJXEO-RTWAWAEBSA-N
MW360.43 g/mol
LogP4.43
Rot. Bonds4

About (3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide

(3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide (PubChem CID 166790335) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is (3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
PubChem CID166790335
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name(3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CNC[C@@H]1c1ccccc1F
InChIInChI=1S/C23H21FN2O/c24-22-12-5-4-11-19(22)20-14-25-15-21(20)23(27)26-18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-13,20-21,25H,14-15H2,(H,26,27)/t20-,21+/m1/s1
InChIKeyYPHIMQPGWGJXEO-RTWAWAEBSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
CID 156839359
(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 158843512
3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 166790625
5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 136542533
(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 166803782
(3-phenylphenyl)carbamic acid
CID 611602
(3S,4R)-4-phenyl-N-[3-(pyridin-3-ylamino)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 162471027
2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 60582319
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55711490
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 139003868
CID 156839173
CID 156839173

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide (CID 166790335) is (3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CNC[C@@H]1c1ccccc1F.
What is the InChIKey of (3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is YPHIMQPGWGJXEO-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H21FN2O/c24-22-12-5-4-11-19(22)20-14-25-15-21(20)23(27)26-18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-13,20-21,25H,14-15H2,(H,26,27)/t20-,21+/m1/s1.
What are the key properties of (3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide?
(3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 166790335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).