5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide

C16H18Cl2N2O — CID 72711186

IUPAC5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cc(Cl)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C16H18Cl2N2O/c1-9-2-4-11(5-3-9)19-16(21)15-7-10-6-12(17)13(18)8-14(10)20-15/h6-9,11,20H,2-5H2,1H3,(H,19,21)
InChIKeyVVNSDHKFMGEPHU-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.78
Rot. Bonds2

About 5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide

5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide (PubChem CID 72711186) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
PubChem CID72711186
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cc(Cl)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C16H18Cl2N2O/c1-9-2-4-11(5-3-9)19-16(21)15-7-10-6-12(17)13(18)8-14(10)20-15/h6-9,11,20H,2-5H2,1H3,(H,19,21)
InChIKeyVVNSDHKFMGEPHU-UHFFFAOYSA-N
XLogP4.78
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
The IUPAC name of 5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide (CID 72711186) is 5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide is CC1CCC(NC(=O)c2cc3cc(Cl)c(Cl)cc3[nH]2)CC1.
What is the InChIKey of 5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
The InChIKey is VVNSDHKFMGEPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-9-2-4-11(5-3-9)19-16(21)15-7-10-6-12(17)13(18)8-14(10)20-15/h6-9,11,20H,2-5H2,1H3,(H,19,21).
What are the key properties of 5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide has a molecular weight of 325.24 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 72711186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).