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

C17H13Cl2NO3 — CID 166398697

IUPAC1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(-c3cc(Cl)ccc3Cl)cc2)C1
InChIInChI=1S/C17H13Cl2NO3/c18-12-3-6-15(19)14(8-12)10-1-4-13(5-2-10)20-9-11(17(22)23)7-16(20)21/h1-6,8,11H,7,9H2,(H,22,23)
InChIKeyYJISVEDVTCTAEN-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.10
Rot. Bonds3

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

1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 166398697) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is 1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID166398697
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(-c3cc(Cl)ccc3Cl)cc2)C1
InChIInChI=1S/C17H13Cl2NO3/c18-12-3-6-15(19)14(8-12)10-1-4-13(5-2-10)20-9-11(17(22)23)7-16(20)21/h1-6,8,11H,7,9H2,(H,22,23)
InChIKeyYJISVEDVTCTAEN-UHFFFAOYSA-N
XLogP4.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398727
1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398696
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 3514336
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169
(3S)-1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076252
1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50874094
N-(2,5-dichlorophenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791026
1-(2-amino-4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691853
1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 10422408
1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 81262940

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 166398697) is 1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(-c3cc(Cl)ccc3Cl)cc2)C1.
What is the InChIKey of 1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is YJISVEDVTCTAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c18-12-3-6-15(19)14(8-12)10-1-4-13(5-2-10)20-9-11(17(22)23)7-16(20)21/h1-6,8,11H,7,9H2,(H,22,23).
What are the key properties of 1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 350.20 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 166398697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).