1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid

C24H21NO3 — CID 53440493

IUPAC1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccccc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H21NO3/c26-23(19-14-8-3-9-15-19)25-16-20(24(27)28)21(17-10-4-1-5-11-17)22(25)18-12-6-2-7-13-18/h1-15,20-22H,16H2,(H,27,28)
InChIKeyBRXKMFNGHHIPPN-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.37
Rot. Bonds4

About 1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid

1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid (PubChem CID 53440493) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid
PubChem CID53440493
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccccc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H21NO3/c26-23(19-14-8-3-9-15-19)25-16-20(24(27)28)21(17-10-4-1-5-11-17)22(25)18-12-6-2-7-13-18/h1-15,20-22H,16H2,(H,27,28)
InChIKeyBRXKMFNGHHIPPN-UHFFFAOYSA-N
XLogP4.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-phenylmethanone
CID 110740529
[(2S,3R)-2-methyl-3-phenylaziridin-1-yl]-phenylmethanone
CID 12739484
[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
CID 23267945
(3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone
CID 10901016
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone
CID 97092730
[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone
CID 7329928
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid
CID 119187127
[(3aR,4S,6aS)-2-(cyclohexylmethyl)-4-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-phenylmethanone
CID 171913555
(3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone
CID 133083666
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid (CID 53440493) is 1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid is O=C(O)C1CN(C(=O)c2ccccc2)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid?
The InChIKey is BRXKMFNGHHIPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c26-23(19-14-8-3-9-15-19)25-16-20(24(27)28)21(17-10-4-1-5-11-17)22(25)18-12-6-2-7-13-18/h1-15,20-22H,16H2,(H,27,28).
What are the key properties of 1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid?
1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 53440493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).