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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Related Compounds

1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014855
1-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 95051247
N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 71839103
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide
CID 119336564
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119332056
N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 95627572
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119332055
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838850
1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838878
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 16918650

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).