3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

C22H21FN2O3 — CID 7159878

IUPAC3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(CC1CCCC1)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12
InChIInChI=1S/C22H21FN2O3/c23-15-8-5-9-16(13-15)24-22(27)21-20(17-10-3-4-11-18(17)28-21)25-19(26)12-14-6-1-2-7-14/h3-5,8-11,13-14H,1-2,6-7,12H2,(H,24,27)(H,25,26)
InChIKeyVEJBSRBYOGFFNY-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.34
Rot. Bonds5

About 3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 7159878) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
PubChem CID7159878
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(CC1CCCC1)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12
InChIInChI=1S/C22H21FN2O3/c23-15-8-5-9-16(13-15)24-22(27)21-20(17-10-3-4-11-18(17)28-21)25-19(26)12-14-6-1-2-7-14/h3-5,8-11,13-14H,1-2,6-7,12H2,(H,24,27)(H,25,26)
InChIKeyVEJBSRBYOGFFNY-UHFFFAOYSA-N
XLogP5.34
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide
CID 7501810
3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501903
N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875272
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-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
N-(3-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 93153212
3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875259
N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875257
3-(cyclopentanecarbonylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3241032
3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
CID 22511134
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide (CID 7159878) is 3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide is O=C(CC1CCCC1)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12.
What is the InChIKey of 3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is VEJBSRBYOGFFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c23-15-8-5-9-16(13-15)24-22(27)21-20(17-10-3-4-11-18(17)28-21)25-19(26)12-14-6-1-2-7-14/h3-5,8-11,13-14H,1-2,6-7,12H2,(H,24,27)(H,25,26).
What are the key properties of 3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide?
3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 5.34, 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-fluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7159878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).