5-(4-fluorophenyl)-N-formylpentanamide

C12H14FNO2 — CID 145350810

IUPAC5-(4-fluorophenyl)-N-formylpentanamide
SMILESO=CNC(=O)CCCCc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-11-7-5-10(6-8-11)3-1-2-4-12(16)14-9-15/h5-9H,1-4H2,(H,14,15,16)
InChIKeyPVSJLTCILXYOQA-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.81
Rot. Bonds6

About 5-(4-fluorophenyl)-N-formylpentanamide

5-(4-fluorophenyl)-N-formylpentanamide (PubChem CID 145350810) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-formylpentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-formylpentanamide
PubChem CID145350810
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name5-(4-fluorophenyl)-N-formylpentanamide
SMILESO=CNC(=O)CCCCc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-11-7-5-10(6-8-11)3-1-2-4-12(16)14-9-15/h5-9H,1-4H2,(H,14,15,16)
InChIKeyPVSJLTCILXYOQA-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
6-(4-fluorophenyl)hexanoic acid
CID 14739735
11-(4-fluorophenyl)undecanamide
CID 144640590
5-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 110306829
5-(4-fluorophenyl)pentaneperoxoic acid
CID 87783739
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110310181
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
2-[4-(4-fluorophenyl)butanoylamino]butanedioic acid
CID 82224351

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-formylpentanamide?
The IUPAC name of 5-(4-fluorophenyl)-N-formylpentanamide (CID 145350810) is 5-(4-fluorophenyl)-N-formylpentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-formylpentanamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-formylpentanamide is O=CNC(=O)CCCCc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-formylpentanamide?
The InChIKey is PVSJLTCILXYOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-11-7-5-10(6-8-11)3-1-2-4-12(16)14-9-15/h5-9H,1-4H2,(H,14,15,16).
What are the key properties of 5-(4-fluorophenyl)-N-formylpentanamide?
5-(4-fluorophenyl)-N-formylpentanamide has a molecular weight of 223.25 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-formylpentanamide is sourced from PubChem (CID 145350810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).