7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

C16H12FNO3 — CID 46665379

IUPAC7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2O)oc2c(F)cccc12
InChIInChI=1S/C16H12FNO3/c1-9-10-5-4-6-11(17)15(10)21-14(9)16(20)18-12-7-2-3-8-13(12)19/h2-8,19H,1H3,(H,18,20)
InChIKeyKYAIPFJWHMYWKE-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.84
Rot. Bonds2

About 7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 46665379) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID46665379
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2O)oc2c(F)cccc12
InChIInChI=1S/C16H12FNO3/c1-9-10-5-4-6-11(17)15(10)21-14(9)16(20)18-12-7-2-3-8-13(12)19/h2-8,19H,1H3,(H,18,20)
InChIKeyKYAIPFJWHMYWKE-UHFFFAOYSA-N
XLogP3.84
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-3-methyl-N-(2-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 9344647
N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344832
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344639
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
7-fluoro-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 24655002
7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 78956970
7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115692460
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 46665379) is 7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccccc2O)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KYAIPFJWHMYWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-9-10-5-4-6-11(17)15(10)21-14(9)16(20)18-12-7-2-3-8-13(12)19/h2-8,19H,1H3,(H,18,20).
What are the key properties of 7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 285.27 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46665379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).