5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H20ClNO2 — CID 24679615

IUPAC5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CCCCC1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H20ClNO2/c17-13-6-7-14-12(8-13)9-15(20-14)16(19)18-10-11-4-2-1-3-5-11/h6-8,11,15H,1-5,9-10H2,(H,18,19)
InChIKeyCBGIIBXUNOLJCG-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.34
Rot. Bonds3

About 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 24679615) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID24679615
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CCCCC1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H20ClNO2/c17-13-6-7-14-12(8-13)9-15(20-14)16(19)18-10-11-4-2-1-3-5-11/h6-8,11,15H,1-5,9-10H2,(H,18,19)
InChIKeyCBGIIBXUNOLJCG-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 24679615) is 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCC1CCCCC1)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is CBGIIBXUNOLJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-13-6-7-14-12(8-13)9-15(20-14)16(19)18-10-11-4-2-1-3-5-11/h6-8,11,15H,1-5,9-10H2,(H,18,19).
What are the key properties of 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 293.79 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24679615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).