4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide

C18H25FN2O2 — CID 71995133

IUPAC4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide
SMILESCC(CN1CCCC1=O)NC(=O)C(C)CCc1ccccc1F
InChIInChI=1S/C18H25FN2O2/c1-13(9-10-15-6-3-4-7-16(15)19)18(23)20-14(2)12-21-11-5-8-17(21)22/h3-4,6-7,13-14H,5,8-12H2,1-2H3,(H,20,23)
InChIKeyKDGHVJGXHZQORZ-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds7

About 4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide

4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide (PubChem CID 71995133) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide
PubChem CID71995133
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide
SMILESCC(CN1CCCC1=O)NC(=O)C(C)CCc1ccccc1F
InChIInChI=1S/C18H25FN2O2/c1-13(9-10-15-6-3-4-7-16(15)19)18(23)20-14(2)12-21-11-5-8-17(21)22/h3-4,6-7,13-14H,5,8-12H2,1-2H3,(H,20,23)
InChIKeyKDGHVJGXHZQORZ-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide?
The IUPAC name of 4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide (CID 71995133) is 4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide?
The canonical SMILES for 4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide is CC(CN1CCCC1=O)NC(=O)C(C)CCc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide?
The InChIKey is KDGHVJGXHZQORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13(9-10-15-6-3-4-7-16(15)19)18(23)20-14(2)12-21-11-5-8-17(21)22/h3-4,6-7,13-14H,5,8-12H2,1-2H3,(H,20,23).
What are the key properties of 4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide?
4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide has a molecular weight of 320.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide is sourced from PubChem (CID 71995133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).