N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide

C20H19FN2O3 — CID 7116978

IUPACN-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide
SMILESCC(C)CC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12
InChIInChI=1S/C20H19FN2O3/c1-12(2)11-17(24)23-18-13-7-3-6-10-16(13)26-19(18)20(25)22-15-9-5-4-8-14(15)21/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQRINBUBVAWMDJR-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.81
Rot. Bonds5

About N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide

N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide (PubChem CID 7116978) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide
PubChem CID7116978
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide
SMILESCC(C)CC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12
InChIInChI=1S/C20H19FN2O3/c1-12(2)11-17(24)23-18-13-7-3-6-10-16(13)26-19(18)20(25)22-15-9-5-4-8-14(15)21/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQRINBUBVAWMDJR-UHFFFAOYSA-N
XLogP4.81
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159781
3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875244
3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 16814504
N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7152285
3-(3-methylbutanoylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160091
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501898
N-(3,4-difluorophenyl)-3-(2-ethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501899
3-(3-chloropropanoylamino)-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501910
3-(cyclohexylsulfanylmethyl)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3962971
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7292203
N-dibenzofuran-2-yl-3-methylbutanamide
CID 18082320

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide (CID 7116978) is N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide is CC(C)CC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12.
What is the InChIKey of N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide?
The InChIKey is QRINBUBVAWMDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12(2)11-17(24)23-18-13-7-3-6-10-16(13)26-19(18)20(25)22-15-9-5-4-8-14(15)21/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide?
N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(3-methylbutanoylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7116978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).