2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide

C15H19FN2O2 — CID 119306364

IUPAC2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H19FN2O2/c1-3-4-12(17)15(19)18-8-14-9(2)11-7-10(16)5-6-13(11)20-14/h5-7,12H,3-4,8,17H2,1-2H3,(H,18,19)
InChIKeyYNEVVIUDMRAGBH-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.62
Rot. Bonds5

About 2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide

2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide (PubChem CID 119306364) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide
PubChem CID119306364
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H19FN2O2/c1-3-4-12(17)15(19)18-8-14-9(2)11-7-10(16)5-6-13(11)20-14/h5-7,12H,3-4,8,17H2,1-2H3,(H,18,19)
InChIKeyYNEVVIUDMRAGBH-UHFFFAOYSA-N
XLogP2.62
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride
CID 119754076
7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide
CID 119754041
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111505327
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618677
N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015471
2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 119754065
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104132
3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119754048
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119754051
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide
CID 86845093

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide?
The IUPAC name of 2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide (CID 119306364) is 2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide is CCCC(N)C(=O)NCc1oc2ccc(F)cc2c1C.
What is the InChIKey of 2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide?
The InChIKey is YNEVVIUDMRAGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-4-12(17)15(19)18-8-14-9(2)11-7-10(16)5-6-13(11)20-14/h5-7,12H,3-4,8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide?
2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide has a molecular weight of 278.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide is sourced from PubChem (CID 119306364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).