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

C17H23FN2O2 — CID 119754041

IUPAC7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide
SMILESCc1c(CNC(=O)CCCCCCN)oc2ccc(F)cc12
InChIInChI=1S/C17H23FN2O2/c1-12-14-10-13(18)7-8-15(14)22-16(12)11-20-17(21)6-4-2-3-5-9-19/h7-8,10H,2-6,9,11,19H2,1H3,(H,20,21)
InChIKeyDQHTZXVVCWPHNK-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.41
Rot. Bonds8

About 7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide

7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide (PubChem CID 119754041) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide
PubChem CID119754041
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide
SMILESCc1c(CNC(=O)CCCCCCN)oc2ccc(F)cc12
InChIInChI=1S/C17H23FN2O2/c1-12-14-10-13(18)7-8-15(14)22-16(12)11-20-17(21)6-4-2-3-5-9-19/h7-8,10H,2-6,9,11,19H2,1H3,(H,20,21)
InChIKeyDQHTZXVVCWPHNK-UHFFFAOYSA-N
XLogP3.41
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.41
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-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride
CID 119754076
2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119306364
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
3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]propan-1-ol
CID 113410126
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111505327
N-tert-butyl-2-[[N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111385110
3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119754051
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide
CID 86845093
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937953

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide?
The IUPAC name of 7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide (CID 119754041) is 7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide?
The canonical SMILES for 7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide is Cc1c(CNC(=O)CCCCCCN)oc2ccc(F)cc12.
What is the InChIKey of 7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide?
The InChIKey is DQHTZXVVCWPHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12-14-10-13(18)7-8-15(14)22-16(12)11-20-17(21)6-4-2-3-5-9-19/h7-8,10H,2-6,9,11,19H2,1H3,(H,20,21).
What are the key properties of 7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide?
7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide has a molecular weight of 306.38 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide is sourced from PubChem (CID 119754041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).