5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide

C16H17ClN2O3 — CID 9327354

IUPAC5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H17ClN2O3/c17-12-6-7-13-11(8-12)9-14(22-13)16(21)19-18-15(20)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,18,20)(H,19,21)
InChIKeyWMCSKPWBYCCXCQ-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.43
Rot. Bonds2

About 5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide

5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide (PubChem CID 9327354) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
PubChem CID9327354
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H17ClN2O3/c17-12-6-7-13-11(8-12)9-14(22-13)16(21)19-18-15(20)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,18,20)(H,19,21)
InChIKeyWMCSKPWBYCCXCQ-UHFFFAOYSA-N
XLogP3.43
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide
CID 9272241
5-chloro-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1-benzofuran-2-carboxamide
CID 155990029
N'-(5-chloro-1-benzofuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 60616088
7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808619
5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide
CID 111464277
5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 58945427
N'-(2-bromobenzoyl)-5-chloro-1-benzofuran-2-carbohydrazide
CID 9037806
5-chloro-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19240931
5-chloro-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-benzofuran-2-carbohydrazide
CID 18876090
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide (CID 9327354) is 5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide is O=C(NNC(=O)C1CCCCC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is WMCSKPWBYCCXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c17-12-6-7-13-11(8-12)9-14(22-13)16(21)19-18-15(20)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,18,20)(H,19,21).
What are the key properties of 5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide?
5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 320.78 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9327354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).