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

C18H15Cl2NO3 — CID 166398696

IUPAC1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)O)CC2=O)ccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2NO3/c1-10-6-13(21-9-11(18(23)24)7-17(21)22)3-4-14(10)15-8-12(19)2-5-16(15)20/h2-6,8,11H,7,9H2,1H3,(H,23,24)
InChIKeyNLZZJRBOSZCMKK-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.41
Rot. Bonds3

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

1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 166398696) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID166398696
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC Name1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)O)CC2=O)ccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2NO3/c1-10-6-13(21-9-11(18(23)24)7-17(21)22)3-4-14(10)15-8-12(19)2-5-16(15)20/h2-6,8,11H,7,9H2,1H3,(H,23,24)
InChIKeyNLZZJRBOSZCMKK-UHFFFAOYSA-N
XLogP4.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.41
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
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
1-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 54964606
(3S)-1-(3-amino-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076155
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169
1-(3-chloro-4-methylphenyl)-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84987956
1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398727
(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075786
(3S)-1-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94068532
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690528

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 166398696) is 1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid is Cc1cc(N2CC(C(=O)O)CC2=O)ccc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NLZZJRBOSZCMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c1-10-6-13(21-9-11(18(23)24)7-17(21)22)3-4-14(10)15-8-12(19)2-5-16(15)20/h2-6,8,11H,7,9H2,1H3,(H,23,24).
What are the key properties of 1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-(2,5-dichlorophenyl)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 364.23 g/mol, XLogP of 4.41, 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)-3-methylphenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 166398696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).