1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid

C24H21F2NO2 — CID 3925654

IUPAC1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C24H21F2NO2/c25-19-12-13-20(21(26)15-19)23(27-14-4-7-22(27)24(28)29)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,22-23H,4,7,14H2,(H,28,29)
InChIKeyNWXBZAYOVSEOAM-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.27
Rot. Bonds5

About 1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid

1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 3925654) has the molecular formula C24H21F2NO2 and a molecular weight of 393.43 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID3925654
Molecular FormulaC24H21F2NO2
Molecular Weight393.43 g/mol
Exact Mass393.15
IUPAC Name1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C24H21F2NO2/c25-19-12-13-20(21(26)15-19)23(27-14-4-7-22(27)24(28)29)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,22-23H,4,7,14H2,(H,28,29)
InChIKeyNWXBZAYOVSEOAM-UHFFFAOYSA-N
XLogP5.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid (CID 3925654) is 1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NWXBZAYOVSEOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO2/c25-19-12-13-20(21(26)15-19)23(27-14-4-7-22(27)24(28)29)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,22-23H,4,7,14H2,(H,28,29).
What are the key properties of 1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 393.43 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3925654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).