3-[(2-fluorophenyl)methylamino]propanamide

C10H13FN2O — CID 43090001

IUPAC3-[(2-fluorophenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccccc1F
InChIInChI=1S/C10H13FN2O/c11-9-4-2-1-3-8(9)7-13-6-5-10(12)14/h1-4,13H,5-7H2,(H2,12,14)
InChIKeyGFTBOEJSWWUCDB-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.79
Rot. Bonds5

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

3-[(2-fluorophenyl)methylamino]propanamide (PubChem CID 43090001) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]propanamide
PubChem CID43090001
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name3-[(2-fluorophenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccccc1F
InChIInChI=1S/C10H13FN2O/c11-9-4-2-1-3-8(9)7-13-6-5-10(12)14/h1-4,13H,5-7H2,(H2,12,14)
InChIKeyGFTBOEJSWWUCDB-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(2-fluorophenyl)methylamino]propanoate;hydrochloride
CID 126479427
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
N-[(2-fluorophenyl)methyl]-3-methylbut-3-en-1-amine
CID 114471961
3-[(2,4-dihydroxyphenyl)methylamino]propanamide
CID 43553298
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
2-[2-[(2-fluorophenyl)methylamino]ethyl]benzoic acid
CID 104546813
3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]propanamide
CID 43626499
N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020851
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43777430
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]propanamide (CID 43090001) is 3-[(2-fluorophenyl)methylamino]propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]propanamide is NC(=O)CCNCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]propanamide?
The InChIKey is GFTBOEJSWWUCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-9-4-2-1-3-8(9)7-13-6-5-10(12)14/h1-4,13H,5-7H2,(H2,12,14).
What are the key properties of 3-[(2-fluorophenyl)methylamino]propanamide?
3-[(2-fluorophenyl)methylamino]propanamide has a molecular weight of 196.23 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]propanamide is sourced from PubChem (CID 43090001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).