3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid

C24H21FN2O3 — CID 166790625

IUPAC3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(Nc1cccc(-c2ccccc2)c1)C1CN(C(=O)O)CC1c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O3/c25-19-11-9-17(10-12-19)21-14-27(24(29)30)15-22(21)23(28)26-20-8-4-7-18(13-20)16-5-2-1-3-6-16/h1-13,21-22H,14-15H2,(H,26,28)(H,29,30)
InChIKeyVRBZUWDYBOQMTE-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.82
Rot. Bonds4

About 3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid

3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 166790625) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID166790625
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(Nc1cccc(-c2ccccc2)c1)C1CN(C(=O)O)CC1c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O3/c25-19-11-9-17(10-12-19)21-14-27(24(29)30)15-22(21)23(28)26-20-8-4-7-18(13-20)16-5-2-1-3-6-16/h1-13,21-22H,14-15H2,(H,26,28)(H,29,30)
InChIKeyVRBZUWDYBOQMTE-UHFFFAOYSA-N
XLogP4.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3R,4S)-3-(4-methoxyphenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 156839293
(3S,4R)-3-(4-fluorophenyl)-4-(isoquinolin-5-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 166790482
(3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 166790335
(3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839330
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839438
4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
CID 156839359
4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-phenylpyrrolidine-3-carboxamide
CID 90404252
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 51295136
(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide
CID 100894597
(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 158843512
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid (CID 166790625) is 3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid is O=C(Nc1cccc(-c2ccccc2)c1)C1CN(C(=O)O)CC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is VRBZUWDYBOQMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c25-19-11-9-17(10-12-19)21-14-27(24(29)30)15-22(21)23(28)26-20-8-4-7-18(13-20)16-5-2-1-3-6-16/h1-13,21-22H,14-15H2,(H,26,28)(H,29,30).
What are the key properties of 3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid?
3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 404.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 166790625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).