N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide

C14H17FN2O2 — CID 71839077

IUPACN-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-2-3-13(18)16-12-8-9-17(14(12)19)11-6-4-10(15)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyMJCZKYXNMICXON-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.85
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide

N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide (PubChem CID 71839077) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide
PubChem CID71839077
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-2-3-13(18)16-12-8-9-17(14(12)19)11-6-4-10(15)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyMJCZKYXNMICXON-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.85
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)-2-oxopyrrolidin-3-yl]butanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide (CID 71839077) is N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide is CCCC(=O)NC1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide?
The InChIKey is MJCZKYXNMICXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-3-13(18)16-12-8-9-17(14(12)19)11-6-4-10(15)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide?
N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]butanamide has a molecular weight of 264.30 g/mol, XLogP of 1.85, 4 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]butanamide is sourced from PubChem (CID 71839077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).