5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide

C13H19FN2O2 — CID 114162271

IUPAC5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide
SMILESCOc1cccc(CNCCCCC(N)=O)c1F
InChIInChI=1S/C13H19FN2O2/c1-18-11-6-4-5-10(13(11)14)9-16-8-3-2-7-12(15)17/h4-6,16H,2-3,7-9H2,1H3,(H2,15,17)
InChIKeyOSGPEGBLQLGPEP-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.58
Rot. Bonds8

About 5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide

5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide (PubChem CID 114162271) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide
PubChem CID114162271
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide
SMILESCOc1cccc(CNCCCCC(N)=O)c1F
InChIInChI=1S/C13H19FN2O2/c1-18-11-6-4-5-10(13(11)14)9-16-8-3-2-7-12(15)17/h4-6,16H,2-3,7-9H2,1H3,(H2,15,17)
InChIKeyOSGPEGBLQLGPEP-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.58
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

4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
N-[(2-fluoro-3-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 113453546
3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 104791725
5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide
CID 106234716
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
CID 106233498
N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
CID 104791408
4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide
CID 104791467
4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol
CID 114163606
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide
CID 114132777
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide?
The IUPAC name of 5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide (CID 114162271) is 5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide.
What is the SMILES notation for 5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide?
The canonical SMILES for 5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide is COc1cccc(CNCCCCC(N)=O)c1F.
What is the InChIKey of 5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide?
The InChIKey is OSGPEGBLQLGPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-18-11-6-4-5-10(13(11)14)9-16-8-3-2-7-12(15)17/h4-6,16H,2-3,7-9H2,1H3,(H2,15,17).
What are the key properties of 5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide?
5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide has a molecular weight of 254.30 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide is sourced from PubChem (CID 114162271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).