1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C23H24ClN3O4 — CID 42953358

IUPAC1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccccc1NC(=O)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C23H24ClN3O4/c24-16-5-3-6-17(12-16)27-14-15(11-21(27)28)22(29)26-20-9-2-1-8-19(20)23(30)25-13-18-7-4-10-31-18/h1-3,5-6,8-9,12,15,18H,4,7,10-11,13-14H2,(H,25,30)(H,26,29)
InChIKeyXRAKYZHVEADKKU-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.24
Rot. Bonds6

About 1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 42953358) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID42953358
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccccc1NC(=O)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C23H24ClN3O4/c24-16-5-3-6-17(12-16)27-14-15(11-21(27)28)22(29)26-20-9-2-1-8-19(20)23(30)25-13-18-7-4-10-31-18/h1-3,5-6,8-9,12,15,18H,4,7,10-11,13-14H2,(H,25,30)(H,26,29)
InChIKeyXRAKYZHVEADKKU-UHFFFAOYSA-N
XLogP3.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 9350768
5-oxo-N-[4-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 17154021
(3S)-1-(4-ethoxyphenyl)-5-oxo-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 40964263
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55607434
1-(3-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46436702
(3R)-1-(3-methylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93017593
(3S)-1-(3-bromophenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 51935285
1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 84995148
(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 125043020
1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55870262

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 42953358) is 1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is O=C(NCC1CCCO1)c1ccccc1NC(=O)C1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XRAKYZHVEADKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c24-16-5-3-6-17(12-16)27-14-15(11-21(27)28)22(29)26-20-9-2-1-8-19(20)23(30)25-13-18-7-4-10-31-18/h1-3,5-6,8-9,12,15,18H,4,7,10-11,13-14H2,(H,25,30)(H,26,29).
What are the key properties of 1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42953358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).