1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C18H23FN2O2 — CID 3238333

IUPAC1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C18H23FN2O2/c19-14-8-6-13(7-9-14)12-20-18(23)16-10-11-17(22)21(16)15-4-2-1-3-5-15/h6-9,15-16H,1-5,10-12H2,(H,20,23)
InChIKeyRQFVJKDITFNUFR-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.77
Rot. Bonds4

About 1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 3238333) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID3238333
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C18H23FN2O2/c19-14-8-6-13(7-9-14)12-20-18(23)16-10-11-17(22)21(16)15-4-2-1-3-5-15/h6-9,15-16H,1-5,10-12H2,(H,20,23)
InChIKeyRQFVJKDITFNUFR-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 3238333) is 1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is O=C(NCc1ccc(F)cc1)C1CCC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RQFVJKDITFNUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-14-8-6-13(7-9-14)12-20-18(23)16-10-11-17(22)21(16)15-4-2-1-3-5-15/h6-9,15-16H,1-5,10-12H2,(H,20,23).
What are the key properties of 1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3238333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).