N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide

C24H22N2O4 — CID 171722189

IUPACN-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCCCC1NC(=O)c1cc2ccccc2o1)c1cc2ccccc2o1
InChIInChI=1S/C24H22N2O4/c27-23(21-13-15-7-1-5-11-19(15)29-21)25-17-9-3-4-10-18(17)26-24(28)22-14-16-8-2-6-12-20(16)30-22/h1-2,5-8,11-14,17-18H,3-4,9-10H2,(H,25,27)(H,26,28)
InChIKeyHELJEYNXELECJG-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.65
Rot. Bonds4

About N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide

N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide (PubChem CID 171722189) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
PubChem CID171722189
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC NameN-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCCCC1NC(=O)c1cc2ccccc2o1)c1cc2ccccc2o1
InChIInChI=1S/C24H22N2O4/c27-23(21-13-15-7-1-5-11-19(15)29-21)25-17-9-3-4-10-18(17)26-24(28)22-14-16-8-2-6-12-20(16)30-22/h1-2,5-8,11-14,17-18H,3-4,9-10H2,(H,25,27)(H,26,28)
InChIKeyHELJEYNXELECJG-UHFFFAOYSA-N
XLogP4.65
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxycyclohexyl)-1-benzofuran-2-carboxamide
CID 55064168
N-(2-aminocyclohexyl)-1-benzofuran-2-carboxamide
CID 61037356
N-(2-fluorocyclopentyl)-1-benzofuran-2-carboxamide
CID 126857780
N-[2-(aminomethyl)cyclopentyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119600706
N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 167992347
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 97318321
N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide
CID 62365593
N-[2-(cyclopentylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 17442222
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1-benzofuran-2-carboxamide
CID 43603784
5-chloro-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1-benzofuran-2-carboxamide
CID 155990029
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 129006244

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide (CID 171722189) is N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide is O=C(NC1CCCCC1NC(=O)c1cc2ccccc2o1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide?
The InChIKey is HELJEYNXELECJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c27-23(21-13-15-7-1-5-11-19(15)29-21)25-17-9-3-4-10-18(17)26-24(28)22-14-16-8-2-6-12-20(16)30-22/h1-2,5-8,11-14,17-18H,3-4,9-10H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide?
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 171722189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).