(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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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).