3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide

C14H21FN2O2 — CID 109015344

IUPAC3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCNCc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-19-10-4-8-17-14(18)7-9-16-11-12-5-2-3-6-13(12)15/h2-3,5-6,16H,4,7-11H2,1H3,(H,17,18)
InChIKeyLGRADLNQQBHJLM-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.46
Rot. Bonds9

About 3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide

3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 109015344) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
PubChem CID109015344
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCNCc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-19-10-4-8-17-14(18)7-9-16-11-12-5-2-3-6-13(12)15/h2-3,5-6,16H,4,7-11H2,1H3,(H,17,18)
InChIKeyLGRADLNQQBHJLM-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.46
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

3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115618231
3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115972838
3-[2-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 109015003
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686507
4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110407748
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020851
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109020684
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 62228874

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide (CID 109015344) is 3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCNCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is LGRADLNQQBHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-19-10-4-8-17-14(18)7-9-16-11-12-5-2-3-6-13(12)15/h2-3,5-6,16H,4,7-11H2,1H3,(H,17,18).
What are the key properties of 3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide?
3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 268.33 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 109015344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).