1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide

C18H23FN2O2 — CID 56820349

IUPAC1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCC(CNC(=O)C1(c2ccc(F)cc2)CC1)CN1CCCC1=O
InChIInChI=1S/C18H23FN2O2/c1-13(12-21-10-2-3-16(21)22)11-20-17(23)18(8-9-18)14-4-6-15(19)7-5-14/h4-7,13H,2-3,8-12H2,1H3,(H,20,23)
InChIKeyUPJAQVNPAXFNMG-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.23
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 56820349) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID56820349
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCC(CNC(=O)C1(c2ccc(F)cc2)CC1)CN1CCCC1=O
InChIInChI=1S/C18H23FN2O2/c1-13(12-21-10-2-3-16(21)22)11-20-17(23)18(8-9-18)14-4-6-15(19)7-5-14/h4-7,13H,2-3,8-12H2,1H3,(H,20,23)
InChIKeyUPJAQVNPAXFNMG-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide (CID 56820349) is 1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide is CC(CNC(=O)C1(c2ccc(F)cc2)CC1)CN1CCCC1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is UPJAQVNPAXFNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-13(12-21-10-2-3-16(21)22)11-20-17(23)18(8-9-18)14-4-6-15(19)7-5-14/h4-7,13H,2-3,8-12H2,1H3,(H,20,23).
What are the key properties of 1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56820349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).