1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C17H20F2N2O2 — CID 166541825

IUPAC1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1F)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H20F2N2O2/c18-14-7-3-4-11(16(14)19)9-20-17(23)12-8-15(22)21(10-12)13-5-1-2-6-13/h3-4,7,12-13H,1-2,5-6,8-10H2,(H,20,23)
InChIKeyWHOOWJLHYFYHDC-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.37
Rot. Bonds4

About 1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 166541825) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID166541825
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1F)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H20F2N2O2/c18-14-7-3-4-11(16(14)19)9-20-17(23)12-8-15(22)21(10-12)13-5-1-2-6-13/h3-4,7,12-13H,1-2,5-6,8-10H2,(H,20,23)
InChIKeyWHOOWJLHYFYHDC-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364760
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
(3R)-1-cyclopentyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95594183
1-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113184749
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97130733
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70724457
1-cyclopentyl-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 72936301
1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 3239285
1-cyclopentyl-N-[(2,3-difluoro-4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817350

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 166541825) is 1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1cccc(F)c1F)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WHOOWJLHYFYHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c18-14-7-3-4-11(16(14)19)9-20-17(23)12-8-15(22)21(10-12)13-5-1-2-6-13/h3-4,7,12-13H,1-2,5-6,8-10H2,(H,20,23).
What are the key properties of 1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166541825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).