N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide

C23H23ClN2O3 — CID 7501810

IUPACN-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide
SMILESO=C(CC1CCCCC1)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12
InChIInChI=1S/C23H23ClN2O3/c24-16-9-6-10-17(14-16)25-23(28)22-21(18-11-4-5-12-19(18)29-22)26-20(27)13-15-7-2-1-3-8-15/h4-6,9-12,14-15H,1-3,7-8,13H2,(H,25,28)(H,26,27)
InChIKeyNTEBQEABACOTFA-UHFFFAOYSA-N
MW410.90 g/mol
LogP6.25
Rot. Bonds5

About N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide

N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 7501810) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide
PubChem CID7501810
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC NameN-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide
SMILESO=C(CC1CCCCC1)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12
InChIInChI=1S/C23H23ClN2O3/c24-16-9-6-10-17(14-16)25-23(28)22-21(18-11-4-5-12-19(18)29-22)26-20(27)13-15-7-2-1-3-8-15/h4-6,9-12,14-15H,1-3,7-8,13H2,(H,25,28)(H,26,27)
InChIKeyNTEBQEABACOTFA-UHFFFAOYSA-N
XLogP6.25
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 56.25
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
3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501903
3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide
CID 7159624
N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide
CID 7200167
3-[(2-cyclopentylacetyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7160217
N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide
CID 110827128
N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817375
3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
CID 22511134
N-(3-chlorophenyl)-3-(heptylamino)-1-benzofuran-2-carboxamide
CID 110826934
3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
CID 7200191
N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 2031281

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide (CID 7501810) is N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide is O=C(CC1CCCCC1)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12.
What is the InChIKey of N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is NTEBQEABACOTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c24-16-9-6-10-17(14-16)25-23(28)22-21(18-11-4-5-12-19(18)29-22)26-20(27)13-15-7-2-1-3-8-15/h4-6,9-12,14-15H,1-3,7-8,13H2,(H,25,28)(H,26,27).
What are the key properties of N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide?
N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 410.90 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7501810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).