7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide

C14H14FNO2 — CID 132919328

IUPAC7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide
SMILESNC(=O)c1ccc(F)c2c1C1(C=CCCC1)CO2
InChIInChI=1S/C14H14FNO2/c15-10-5-4-9(13(16)17)11-12(10)18-8-14(11)6-2-1-3-7-14/h2,4-6H,1,3,7-8H2,(H2,16,17)
InChIKeyBNZIMMYLDUIJJI-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.29
Rot. Bonds1

About 7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide

7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide (PubChem CID 132919328) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide.

Molecular Properties

Compound Name7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide
PubChem CID132919328
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide
SMILESNC(=O)c1ccc(F)c2c1C1(C=CCCC1)CO2
InChIInChI=1S/C14H14FNO2/c15-10-5-4-9(13(16)17)11-12(10)18-8-14(11)6-2-1-3-7-14/h2,4-6H,1,3,7-8H2,(H2,16,17)
InChIKeyBNZIMMYLDUIJJI-UHFFFAOYSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyloxy-3,4-difluorobenzamide
CID 21191364
(6aR)-6a-amino-1,4-difluoro-7,8,9,10-tetrahydro-6H-benzo[c]chromene-10a-carbaldehyde
CID 143514080
3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 22118799
1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide
CID 69053192
N-(1-carbamothioylcyclopentyl)-2,3,4-trifluorobenzamide
CID 79749223
2-chloro-4-fluoro-3-methoxybenzamide
CID 163198226
N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
CID 61119919
1-(2-carbamoyl-5-chloroanilino)cycloheptane-1-carboxylic acid
CID 63082238
2-cyclobutyl-3-fluorobenzamide
CID 89477243
2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide
CID 175959549
bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide
CID 54033082
1-carbamothioyl-N-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxamide
CID 80589467

Frequently Asked Questions

What is the IUPAC name of 7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide?
The IUPAC name of 7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide (CID 132919328) is 7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide.
What is the SMILES notation for 7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide?
The canonical SMILES for 7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide is NC(=O)c1ccc(F)c2c1C1(C=CCCC1)CO2.
What is the InChIKey of 7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide?
The InChIKey is BNZIMMYLDUIJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-10-5-4-9(13(16)17)11-12(10)18-8-14(11)6-2-1-3-7-14/h2,4-6H,1,3,7-8H2,(H2,16,17).
What are the key properties of 7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide?
7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorospiro[2H-1-benzofuran-3,3'-cyclohexene]-4-carboxamide is sourced from PubChem (CID 132919328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).