2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide

C13H19FN2O2 — CID 81087999

IUPAC2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide
SMILESCOCCCC(N)C(=O)N(C)c1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-16(12-8-4-3-6-10(12)14)13(17)11(15)7-5-9-18-2/h3-4,6,8,11H,5,7,9,15H2,1-2H3
InChIKeyYTHIUTPJWGKOKF-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.54
Rot. Bonds6

About 2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide

2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide (PubChem CID 81087999) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide
PubChem CID81087999
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide
SMILESCOCCCC(N)C(=O)N(C)c1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-16(12-8-4-3-6-10(12)14)13(17)11(15)7-5-9-18-2/h3-4,6,8,11H,5,7,9,15H2,1-2H3
InChIKeyYTHIUTPJWGKOKF-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide?
The IUPAC name of 2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide (CID 81087999) is 2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide is COCCCC(N)C(=O)N(C)c1ccccc1F.
What is the InChIKey of 2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide?
The InChIKey is YTHIUTPJWGKOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-16(12-8-4-3-6-10(12)14)13(17)11(15)7-5-9-18-2/h3-4,6,8,11H,5,7,9,15H2,1-2H3.
What are the key properties of 2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide?
2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide has a molecular weight of 254.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide is sourced from PubChem (CID 81087999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).