6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide

C16H15Cl2NO3 — CID 849950

IUPAC6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C16H15Cl2NO3/c17-10-6-9-7-12(16(21)22-14(9)13(18)8-10)15(20)19-11-4-2-1-3-5-11/h6-8,11H,1-5H2,(H,19,20)
InChIKeyGUKBXPHLRLWVRQ-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.16
Rot. Bonds2

About 6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide

6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide (PubChem CID 849950) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide
PubChem CID849950
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C16H15Cl2NO3/c17-10-6-9-7-12(16(21)22-14(9)13(18)8-10)15(20)19-11-4-2-1-3-5-11/h6-8,11H,1-5H2,(H,19,20)
InChIKeyGUKBXPHLRLWVRQ-UHFFFAOYSA-N
XLogP4.16
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.16
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-cyclohexyl-2-oxochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide (CID 849950) is 6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide is O=C(NC1CCCCC1)c1cc2cc(Cl)cc(Cl)c2oc1=O.
What is the InChIKey of 6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide?
The InChIKey is GUKBXPHLRLWVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c17-10-6-9-7-12(16(21)22-14(9)13(18)8-10)15(20)19-11-4-2-1-3-5-11/h6-8,11H,1-5H2,(H,19,20).
What are the key properties of 6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide?
6,8-dichloro-N-cyclohexyl-2-oxochromene-3-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 4.16, 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-cyclohexyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 849950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).