N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide

C17H21FN2O2 — CID 53166681

IUPACN-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1
InChIInChI=1S/C17H21FN2O2/c18-13-6-8-14(9-7-13)20-11-10-15(17(20)22)19-16(21)12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11H2,(H,19,21)
InChIKeyYUNYSXSERHARNK-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.63
Rot. Bonds3

About N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide

N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide (PubChem CID 53166681) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide
PubChem CID53166681
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC NameN-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1
InChIInChI=1S/C17H21FN2O2/c18-13-6-8-14(9-7-13)20-11-10-15(17(20)22)19-16(21)12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11H2,(H,19,21)
InChIKeyYUNYSXSERHARNK-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide (CID 53166681) is N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide is O=C(NC1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide?
The InChIKey is YUNYSXSERHARNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-13-6-8-14(9-7-13)20-11-10-15(17(20)22)19-16(21)12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11H2,(H,19,21).
What are the key properties of N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide?
N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide has a molecular weight of 304.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 53166681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).