6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide

C17H17Cl2NO3 — CID 2981228

IUPAC6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C17H17Cl2NO3/c1-9-4-2-3-5-14(9)20-16(21)12-7-10-6-11(18)8-13(19)15(10)23-17(12)22/h6-9,14H,2-5H2,1H3,(H,20,21)
InChIKeyFUUNVOCTAHPMPJ-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.41
Rot. Bonds2

About 6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide

6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide (PubChem CID 2981228) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
PubChem CID2981228
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C17H17Cl2NO3/c1-9-4-2-3-5-14(9)20-16(21)12-7-10-6-11(18)8-13(19)15(10)23-17(12)22/h6-9,14H,2-5H2,1H3,(H,20,21)
InChIKeyFUUNVOCTAHPMPJ-UHFFFAOYSA-N
XLogP4.41
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide (CID 2981228) is 6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide is CC1CCCCC1NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O.
What is the InChIKey of 6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide?
The InChIKey is FUUNVOCTAHPMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-9-4-2-3-5-14(9)20-16(21)12-7-10-6-11(18)8-13(19)15(10)23-17(12)22/h6-9,14H,2-5H2,1H3,(H,20,21).
What are the key properties of 6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide?
6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide has a molecular weight of 354.23 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2981228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).