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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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).