5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid

C24H20ClNO4 — CID 141379002

IUPAC5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2Cl)N1C(=O)c1c(O)cccc1-c1ccccc1
InChIInChI=1S/C24H20ClNO4/c25-18-11-5-4-9-17(18)19-13-14-20(24(29)30)26(19)23(28)22-16(10-6-12-21(22)27)15-7-2-1-3-8-15/h1-12,19-20,27H,13-14H2,(H,29,30)
InChIKeyYVJJLERLCZLYOR-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.14
Rot. Bonds4

About 5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid

5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 141379002) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID141379002
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Name5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2Cl)N1C(=O)c1c(O)cccc1-c1ccccc1
InChIInChI=1S/C24H20ClNO4/c25-18-11-5-4-9-17(18)19-13-14-20(24(29)30)26(19)23(28)22-16(10-6-12-21(22)27)15-7-2-1-3-8-15/h1-12,19-20,27H,13-14H2,(H,29,30)
InChIKeyYVJJLERLCZLYOR-UHFFFAOYSA-N
XLogP5.14
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-1-(2-fluoro-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
CID 141379021
5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
CID 141378993
1-(2-carbamimidoyl-6-phenylbenzoyl)-5-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 141378936
5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
CID 141378933
1-(2-chloro-4-cyano-6-phenylbenzoyl)-5-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 141378910
(2S,5R)-5-(2-chlorophenyl)-1-(2-chloro-4-phenylbenzoyl)pyrrolidine-2-carboxylic acid
CID 123852031
1-(5-tert-butyl-2-phenylbenzoyl)-5-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 141378961
(2S,5R)-5-(2-chlorophenyl)-1-[4-(2,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 71225806
(2S,5R)-5-(2-chlorophenyl)-1-[4-(3-methylphenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 67257137
1-[4-(3-carbamoylphenyl)benzoyl]-5-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 77255537
(2S,5R)-5-(2-chlorophenyl)-1-[4-(2-phenylmethoxyphenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 71225524
5-(2-chlorophenyl)-1-(2-phenyl-5-propylbenzoyl)pyrrolidine-2-carboxylic acid
CID 141378942

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid (CID 141379002) is 5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCC(c2ccccc2Cl)N1C(=O)c1c(O)cccc1-c1ccccc1.
What is the InChIKey of 5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YVJJLERLCZLYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO4/c25-18-11-5-4-9-17(18)19-13-14-20(24(29)30)26(19)23(28)22-16(10-6-12-21(22)27)15-7-2-1-3-8-15/h1-12,19-20,27H,13-14H2,(H,29,30).
What are the key properties of 5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid?
5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 421.88 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141379002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).