3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide

C22H20F2N2O3 — CID 7501903

IUPAC3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(CC1CCCC1)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12
InChIInChI=1S/C22H20F2N2O3/c23-16-10-9-14(12-17(16)24)25-22(28)21-20(15-7-3-4-8-18(15)29-21)26-19(27)11-13-5-1-2-6-13/h3-4,7-10,12-13H,1-2,5-6,11H2,(H,25,28)(H,26,27)
InChIKeyUMNBXAWNRINKKR-UHFFFAOYSA-N
MW398.41 g/mol
LogP5.48
Rot. Bonds5

About 3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide

3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 7501903) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is 3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
PubChem CID7501903
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC Name3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(CC1CCCC1)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12
InChIInChI=1S/C22H20F2N2O3/c23-16-10-9-14(12-17(16)24)25-22(28)21-20(15-7-3-4-8-18(15)29-21)26-19(27)11-13-5-1-2-6-13/h3-4,7-10,12-13H,1-2,5-6,11H2,(H,25,28)(H,26,27)
InChIKeyUMNBXAWNRINKKR-UHFFFAOYSA-N
XLogP5.48
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159878
N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide
CID 7501810
3-(3-chloropropanoylamino)-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501910
N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501898
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-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide
CID 7159624
3-[(2-cyclopentylacetyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7160217
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
CID 7200191
N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 71962835
3-(cyclopentanecarbonylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3241032

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide (CID 7501903) is 3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide is O=C(CC1CCCC1)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12.
What is the InChIKey of 3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is UMNBXAWNRINKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c23-16-10-9-14(12-17(16)24)25-22(28)21-20(15-7-3-4-8-18(15)29-21)26-19(27)11-13-5-1-2-6-13/h3-4,7-10,12-13H,1-2,5-6,11H2,(H,25,28)(H,26,27).
What are the key properties of 3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide?
3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7501903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).