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

C30H24ClNO4 — CID 141378993

IUPAC5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2Cl)N1C(=O)c1c(Oc2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C30H24ClNO4/c31-24-16-8-7-14-23(24)25-18-19-26(30(34)35)32(25)29(33)28-22(20-10-3-1-4-11-20)15-9-17-27(28)36-21-12-5-2-6-13-21/h1-17,25-26H,18-19H2,(H,34,35)
InChIKeyGKAUWDCURNQMJV-UHFFFAOYSA-N
MW497.98 g/mol
LogP7.23
Rot. Bonds6

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

5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 141378993) has the molecular formula C30H24ClNO4 and a molecular weight of 497.98 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID141378993
Molecular FormulaC30H24ClNO4
Molecular Weight497.98 g/mol
Exact Mass497.14
IUPAC Name5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2Cl)N1C(=O)c1c(Oc2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C30H24ClNO4/c31-24-16-8-7-14-23(24)25-18-19-26(30(34)35)32(25)29(33)28-22(20-10-3-1-4-11-20)15-9-17-27(28)36-21-12-5-2-6-13-21/h1-17,25-26H,18-19H2,(H,34,35)
InChIKeyGKAUWDCURNQMJV-UHFFFAOYSA-N
XLogP7.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.98
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
CID 141379002
5-(2-chlorophenyl)-1-(2-fluoro-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
CID 141379021
5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
CID 141378933
1-(2-carbamimidoyl-6-phenylbenzoyl)-5-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 141378936
(2S,5R)-5-(2-chlorophenyl)-1-[4-(2-phenylmethoxyphenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 71225524
1-(2-chloro-4-cyano-6-phenylbenzoyl)-5-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 141378910
(2S,5R)-5-(2-chlorophenyl)-1-[4-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 67256121
(2S,5S)-5-(2-chlorophenyl)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 53257662
(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-(3-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 67255889

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid (CID 141378993) is 5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCC(c2ccccc2Cl)N1C(=O)c1c(Oc2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GKAUWDCURNQMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClNO4/c31-24-16-8-7-14-23(24)25-18-19-26(30(34)35)32(25)29(33)28-22(20-10-3-1-4-11-20)15-9-17-27(28)36-21-12-5-2-6-13-21/h1-17,25-26H,18-19H2,(H,34,35).
What are the key properties of 5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid?
5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 497.98 g/mol, XLogP of 7.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(2-phenoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141378993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).