4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane

C18H24Cl2N2O — CID 145174605

IUPAC4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane
SMILESCC1CCCC(C)(C)C1.NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C9H6Cl2N2O.C9H18/c10-4-1-6(11)5-3-8(9(12)14)13-7(5)2-4;1-8-5-4-6-9(2,3)7-8/h1-3,13H,(H2,12,14);8H,4-7H2,1-3H3
InChIKeyVIKGGKAYBLPUGA-UHFFFAOYSA-N
MW355.31 g/mol
LogP5.80
Rot. Bonds1

About 4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane

4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane (PubChem CID 145174605) has the molecular formula C18H24Cl2N2O and a molecular weight of 355.31 g/mol. Its IUPAC name is 4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane.

Molecular Properties

Compound Name4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane
PubChem CID145174605
Molecular FormulaC18H24Cl2N2O
Molecular Weight355.31 g/mol
Exact Mass354.13
IUPAC Name4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane
SMILESCC1CCCC(C)(C)C1.NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C9H6Cl2N2O.C9H18/c10-4-1-6(11)5-3-8(9(12)14)13-7(5)2-4;1-8-5-4-6-9(2,3)7-8/h1-3,13H,(H2,12,14);8H,4-7H2,1-3H3
InChIKeyVIKGGKAYBLPUGA-UHFFFAOYSA-N
XLogP5.80
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.31
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane?
The IUPAC name of 4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane (CID 145174605) is 4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane.
What is the SMILES notation for 4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane?
The canonical SMILES for 4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane is CC1CCCC(C)(C)C1.NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane?
The InChIKey is VIKGGKAYBLPUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O.C9H18/c10-4-1-6(11)5-3-8(9(12)14)13-7(5)2-4;1-8-5-4-6-9(2,3)7-8/h1-3,13H,(H2,12,14);8H,4-7H2,1-3H3.
What are the key properties of 4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane?
4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane has a molecular weight of 355.31 g/mol, XLogP of 5.80, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane is sourced from PubChem (CID 145174605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).