6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

C18H15FN2O3 — CID 166375965

IUPAC6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2cc3ccc(F)cc3o2)c1C
InChIInChI=1S/C18H15FN2O3/c1-10-13(17(22)20-2)4-3-5-14(10)21-18(23)16-8-11-6-7-12(19)9-15(11)24-16/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyIFDLEOIWFKBBHX-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.49
Rot. Bonds3

About 6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 166375965) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID166375965
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2cc3ccc(F)cc3o2)c1C
InChIInChI=1S/C18H15FN2O3/c1-10-13(17(22)20-2)4-3-5-14(10)21-18(23)16-8-11-6-7-12(19)9-15(11)24-16/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyIFDLEOIWFKBBHX-UHFFFAOYSA-N
XLogP3.49
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
3-(1-benzofuran-2-carbonylcarbamothioylamino)-2-methylbenzoic acid
CID 1328431
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide
CID 95625116
methyl 6-fluoro-1-benzofuran-2-carboxylate
CID 118988296
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,2-dimethylbenzamide
CID 115431926
5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 61090937
N-(2-cyano-4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 79953678
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
N-[2-methyl-3-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 131905924

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 166375965) is 6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is CNC(=O)c1cccc(NC(=O)c2cc3ccc(F)cc3o2)c1C.
What is the InChIKey of 6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is IFDLEOIWFKBBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-10-13(17(22)20-2)4-3-5-14(10)21-18(23)16-8-11-6-7-12(19)9-15(11)24-16/h3-9H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166375965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).