7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H22FNO3 — CID 71850145

IUPAC7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)(CO)CCCNC(=O)C1Cc2cccc(F)c2O1
InChIInChI=1S/C16H22FNO3/c1-16(2,10-19)7-4-8-18-15(20)13-9-11-5-3-6-12(17)14(11)21-13/h3,5-6,13,19H,4,7-10H2,1-2H3,(H,18,20)
InChIKeyAWBOEBWCBGGIII-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.04
Rot. Bonds6

About 7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide

7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 71850145) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID71850145
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)(CO)CCCNC(=O)C1Cc2cccc(F)c2O1
InChIInChI=1S/C16H22FNO3/c1-16(2,10-19)7-4-8-18-15(20)13-9-11-5-3-6-12(17)14(11)21-13/h3,5-6,13,19H,4,7-10H2,1-2H3,(H,18,20)
InChIKeyAWBOEBWCBGGIII-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 71850145) is 7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)(CO)CCCNC(=O)C1Cc2cccc(F)c2O1.
What is the InChIKey of 7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is AWBOEBWCBGGIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-16(2,10-19)7-4-8-18-15(20)13-9-11-5-3-6-12(17)14(11)21-13/h3,5-6,13,19H,4,7-10H2,1-2H3,(H,18,20).
What are the key properties of 7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(5-hydroxy-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71850145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).