N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C16H19ClN2O3 — CID 113182741

IUPACN-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(=O)N(CC2CCCO2)C1
InChIInChI=1S/C16H19ClN2O3/c17-12-3-5-13(6-4-12)18-16(21)11-8-15(20)19(9-11)10-14-2-1-7-22-14/h3-6,11,14H,1-2,7-10H2,(H,18,21)
InChIKeyUJXUSWMUSHTAAF-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.31
Rot. Bonds4

About N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 113182741) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID113182741
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC NameN-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(=O)N(CC2CCCO2)C1
InChIInChI=1S/C16H19ClN2O3/c17-12-3-5-13(6-4-12)18-16(21)11-8-15(20)19(9-11)10-14-2-1-7-22-14/h3-6,11,14H,1-2,7-10H2,(H,18,21)
InChIKeyUJXUSWMUSHTAAF-UHFFFAOYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182716
N-(1,3-benzodioxol-5-yl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182791
(3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 41002417
N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182780
N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182761
N-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 2815650
5-oxo-1-(oxolan-2-ylmethyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113182664
4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 168687103
N-(2-morpholin-4-ylethyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182640
N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182657
1-[(4-chlorophenyl)methyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113183765
N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124504771

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 113182741) is N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CC(=O)N(CC2CCCO2)C1.
What is the InChIKey of N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is UJXUSWMUSHTAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-12-3-5-13(6-4-12)18-16(21)11-8-15(20)19(9-11)10-14-2-1-7-22-14/h3-6,11,14H,1-2,7-10H2,(H,18,21).
What are the key properties of N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 322.79 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113182741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).