1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

C17H14ClNO3 — CID 166398727

IUPAC1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(-c3ccccc3Cl)cc2)C1
InChIInChI=1S/C17H14ClNO3/c18-15-4-2-1-3-14(15)11-5-7-13(8-6-11)19-10-12(17(21)22)9-16(19)20/h1-8,12H,9-10H2,(H,21,22)
InChIKeyNVQCLPYLESOPAU-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.44
Rot. Bonds3

About 1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 166398727) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID166398727
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(-c3ccccc3Cl)cc2)C1
InChIInChI=1S/C17H14ClNO3/c18-15-4-2-1-3-14(15)11-5-7-13(8-6-11)19-10-12(17(21)22)9-16(19)20/h1-8,12H,9-10H2,(H,21,22)
InChIKeyNVQCLPYLESOPAU-UHFFFAOYSA-N
XLogP3.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398697
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride
CID 50873745
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 51616571
(3S)-1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076252
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50874094
1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 22116008
1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398696
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 166398727) is 1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(-c3ccccc3Cl)cc2)C1.
What is the InChIKey of 1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NVQCLPYLESOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-15-4-2-1-3-14(15)11-5-7-13(8-6-11)19-10-12(17(21)22)9-16(19)20/h1-8,12H,9-10H2,(H,21,22).
What are the key properties of 1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 315.76 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 166398727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).