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

C23H26Cl2N2O4 — CID 10367215

IUPAC6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCC1)N(C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)C1CCCCC1
InChIInChI=1S/C23H26Cl2N2O4/c24-15-11-14-12-18(22(29)31-20(14)19(25)13-15)21(28)27(17-9-5-2-6-10-17)23(30)26-16-7-3-1-4-8-16/h11-13,16-17H,1-10H2,(H,26,30)
InChIKeySKESFERBCNVFOU-UHFFFAOYSA-N
MW465.38 g/mol
LogP5.92
Rot. Bonds3

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

6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide (PubChem CID 10367215) has the molecular formula C23H26Cl2N2O4 and a molecular weight of 465.38 g/mol. Its IUPAC name is 6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide
PubChem CID10367215
Molecular FormulaC23H26Cl2N2O4
Molecular Weight465.38 g/mol
Exact Mass464.13
IUPAC Name6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCC1)N(C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)C1CCCCC1
InChIInChI=1S/C23H26Cl2N2O4/c24-15-11-14-12-18(22(29)31-20(14)19(25)13-15)21(28)27(17-9-5-2-6-10-17)23(30)26-16-7-3-1-4-8-16/h11-13,16-17H,1-10H2,(H,26,30)
InChIKeySKESFERBCNVFOU-UHFFFAOYSA-N
XLogP5.92
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.38
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6,8-dichloro-2-oxochromen-3-yl)-N-(2-methoxyethyl)carboxamide
CID 2909035
6,8-dichloro-N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide
CID 2294455
6,8-dichloro-N-[2-(4-morpholinyl)ethyl]-2-oxo-2H-chromene-3-carboxamide
CID 1143463
6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide
CID 127042487
6,8-Dichloro-3-(piperidine-1-carbonyl)chromen-2-one
CID 849949
6,8-dichloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide
CID 4072346
6,8-dichloro-3-(2,6-dimethylpiperidine-1-carbonyl)-2H-chromen-2-one
CID 6486690
3-[(4-benzylpiperazin-1-yl)carbonyl]-6,8-dichloro-2H-chromen-2-one
CID 2198290
6,8-dichloro-N-cyclohexyl-2-oxo-2H-chromene-3-carboxamide
CID 849950
6,8-dichloro-N,N-diethyl-2-oxo-2H-chromene-3-carboxamide
CID 849955
6-chloro-N-cyclohexyl-2-oxo-2H-chromene-3-carboxamide
CID 952014
N-benzyl-6,8-dichloro-2-oxo-2H-chromene-3-carboxamide
CID 973173

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide (CID 10367215) is 6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide is O=C(NC1CCCCC1)N(C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)C1CCCCC1.
What is the InChIKey of 6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide?
The InChIKey is SKESFERBCNVFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O4/c24-15-11-14-12-18(22(29)31-20(14)19(25)13-15)21(28)27(17-9-5-2-6-10-17)23(30)26-16-7-3-1-4-8-16/h11-13,16-17H,1-10H2,(H,26,30).
What are the key properties of 6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide?
6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide has a molecular weight of 465.38 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 10367215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).