N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C17H23FN2O2 — CID 3240092

IUPACN-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NCc2ccc(F)cc2)CC1=O
InChIInChI=1S/C17H23FN2O2/c1-12(2)7-8-20-11-14(9-16(20)21)17(22)19-10-13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)
InChIKeyYBAFVVRUTMNDAP-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.34
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3240092) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3240092
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NCc2ccc(F)cc2)CC1=O
InChIInChI=1S/C17H23FN2O2/c1-12(2)7-8-20-11-14(9-16(20)21)17(22)19-10-13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)
InChIKeyYBAFVVRUTMNDAP-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 3240092) is N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCN1CC(C(=O)NCc2ccc(F)cc2)CC1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YBAFVVRUTMNDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12(2)7-8-20-11-14(9-16(20)21)17(22)19-10-13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3240092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).