2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide

C13H19FN2O2 — CID 81081841

IUPAC2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-9-5-6-10(14)12(8-9)16-13(17)11(15)4-3-7-18-2/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyQFSLKVZCXUPJFK-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.83
Rot. Bonds6

About 2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide

2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide (PubChem CID 81081841) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
PubChem CID81081841
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-9-5-6-10(14)12(8-9)16-13(17)11(15)4-3-7-18-2/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyQFSLKVZCXUPJFK-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide
CID 81083526
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide
CID 81084287
methyl 2-[(2-amino-5-methoxypentanoyl)amino]-4-chlorobenzoate
CID 81084917
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide
CID 81083183
2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide
CID 104727023
2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892554
2-amino-5-methoxy-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81082297
2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide
CID 81080952
2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide
CID 81071157

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide (CID 81081841) is 2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide is COCCCC(N)C(=O)Nc1cc(C)ccc1F.
What is the InChIKey of 2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide?
The InChIKey is QFSLKVZCXUPJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9-5-6-10(14)12(8-9)16-13(17)11(15)4-3-7-18-2/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide?
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide has a molecular weight of 254.30 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide is sourced from PubChem (CID 81081841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).