N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide

C16H21FN2O2 — CID 16918644

IUPACN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O2/c1-11(2)7-15(20)18-9-12-8-16(21)19(10-12)14-5-3-13(17)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,18,20)
InChIKeyKOIIHCCMNFIWEX-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.34
Rot. Bonds5

About N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide

N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide (PubChem CID 16918644) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide
PubChem CID16918644
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O2/c1-11(2)7-15(20)18-9-12-8-16(21)19(10-12)14-5-3-13(17)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,18,20)
InChIKeyKOIIHCCMNFIWEX-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
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-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide (CID 16918644) is N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide is CC(C)CC(=O)NCC1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide?
The InChIKey is KOIIHCCMNFIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(2)7-15(20)18-9-12-8-16(21)19(10-12)14-5-3-13(17)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide?
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide has a molecular weight of 292.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 16918644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).