1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

C17H21ClN2O3 — CID 3245714

IUPAC1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O3/c18-14-6-2-1-4-12(14)11-20-15(7-8-16(20)21)17(22)19-10-13-5-3-9-23-13/h1-2,4,6,13,15H,3,5,7-11H2,(H,19,22)
InChIKeyLYXFRQBJISNWGP-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.13
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 3245714) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID3245714
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O3/c18-14-6-2-1-4-12(14)11-20-15(7-8-16(20)21)17(22)19-10-13-5-3-9-23-13/h1-2,4,6,13,15H,3,5,7-11H2,(H,19,22)
InChIKeyLYXFRQBJISNWGP-UHFFFAOYSA-N
XLogP2.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopentyl-5-oxoprolinamide
CID 49864819
(2S)-N-[(2-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864948
5-oxo-1-(2-phenylethyl)-N-(tetrahydrofuran-2-ylmethyl)prolinamide
CID 3241684
1-[(2-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 4062447
4-chloro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4422972
(R)-tert-butyl 2-((R)-2-((2-chlorobenzyl)carbamoyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 50944090
N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methyl-2-propen-1-yl)-5-oxoprolinamide
CID 67460053
(2S)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-2-carboxamide
CID 76072670
1-(2-chlorobenzyl)-N-(2-morpholin-4-ylethyl)-5-oxoprolinamide
CID 3238737
2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 5309133
1-(4-methylbenzyl)-5-oxo-N-(tetrahydrofuran-2-ylmethyl)prolinamide
CID 3241451
1-(2-chlorobenzyl)-N-(3-methoxypropyl)-5-oxoprolinamide
CID 3245199

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 3245714) is 1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is LYXFRQBJISNWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-14-6-2-1-4-12(14)11-20-15(7-8-16(20)21)17(22)19-10-13-5-3-9-23-13/h1-2,4,6,13,15H,3,5,7-11H2,(H,19,22).
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3245714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).