N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide

C21H20F2N2O3 — CID 7501898

IUPACN-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
SMILESCC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12
InChIInChI=1S/C21H20F2N2O3/c1-21(2,3)11-17(26)25-18-13-6-4-5-7-16(13)28-19(18)20(27)24-12-8-9-14(22)15(23)10-12/h4-10H,11H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyDYFQSMGTLWHDGF-UHFFFAOYSA-N
MW386.40 g/mol
LogP5.34
Rot. Bonds4

About N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide

N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide (PubChem CID 7501898) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
PubChem CID7501898
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC NameN-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
SMILESCC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12
InChIInChI=1S/C21H20F2N2O3/c1-21(2,3)11-17(26)25-18-13-6-4-5-7-16(13)28-19(18)20(27)24-12-8-9-14(22)15(23)10-12/h4-10H,11H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyDYFQSMGTLWHDGF-UHFFFAOYSA-N
XLogP5.34
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloropropanoylamino)-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501910
N-(1,3-benzodioxol-5-yl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7205124
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7204931
N-(3,4-difluorophenyl)-3-(2-ethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501899
3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501903
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 71962835
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 7200193
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937
N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817718

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide (CID 7501898) is N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide is CC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide?
The InChIKey is DYFQSMGTLWHDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c1-21(2,3)11-17(26)25-18-13-6-4-5-7-16(13)28-19(18)20(27)24-12-8-9-14(22)15(23)10-12/h4-10H,11H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide?
N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7501898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).