N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C22H23ClN2O3 — CID 131906342

IUPACN-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2Cl)cc1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C22H23ClN2O3/c23-19-7-3-4-8-20(19)28-18-11-9-16(10-12-18)24-22(27)15-13-21(26)25(14-15)17-5-1-2-6-17/h3-4,7-12,15,17H,1-2,5-6,13-14H2,(H,24,27)
InChIKeyAIVBACUAXSXEFO-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.86
Rot. Bonds5

About N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 131906342) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID131906342
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2Cl)cc1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C22H23ClN2O3/c23-19-7-3-4-8-20(19)28-18-11-9-16(10-12-18)24-22(27)15-13-21(26)25(14-15)17-5-1-2-6-17/h3-4,7-12,15,17H,1-2,5-6,13-14H2,(H,24,27)
InChIKeyAIVBACUAXSXEFO-UHFFFAOYSA-N
XLogP4.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113185562
N-[2-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 24514336
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 52578120
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
1-cyclobutyl-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687616
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
N-(3-chloro-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081380
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 131906342) is N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2Cl)cc1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AIVBACUAXSXEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c23-19-7-3-4-8-20(19)28-18-11-9-16(10-12-18)24-22(27)15-13-21(26)25(14-15)17-5-1-2-6-17/h3-4,7-12,15,17H,1-2,5-6,13-14H2,(H,24,27).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 131906342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).