N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide

C18H23FN2O2 — CID 16918650

IUPACN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)C1CCCCC1
InChIInChI=1S/C18H23FN2O2/c19-15-6-8-16(9-7-15)21-12-13(10-17(21)22)11-20-18(23)14-4-2-1-3-5-14/h6-9,13-14H,1-5,10-12H2,(H,20,23)
InChIKeyWLKCRGOLESWULK-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.88
Rot. Bonds4

About N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide

N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide (PubChem CID 16918650) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
PubChem CID16918650
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)C1CCCCC1
InChIInChI=1S/C18H23FN2O2/c19-15-6-8-16(9-7-15)21-12-13(10-17(21)22)11-20-18(23)14-4-2-1-3-5-14/h6-9,13-14H,1-5,10-12H2,(H,20,23)
InChIKeyWLKCRGOLESWULK-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 40805232
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 16918345
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 16919409
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805226
1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920080
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
ethyl N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 40896124
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 91637213
4-tert-butyl-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918670
1-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913146

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide (CID 16918650) is N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide is O=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)C1CCCCC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
The InChIKey is WLKCRGOLESWULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-15-6-8-16(9-7-15)21-12-13(10-17(21)22)11-20-18(23)14-4-2-1-3-5-14/h6-9,13-14H,1-5,10-12H2,(H,20,23).
What are the key properties of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 16918650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).