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

C17H20Cl2N2O — CID 72694224

IUPAC4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C17H20Cl2N2O/c1-17(2)5-3-11(4-6-17)20-16(22)15-9-12-13(19)7-10(18)8-14(12)21-15/h7-9,11,21H,3-6H2,1-2H3,(H,20,22)
InChIKeyNKNGAORFGPSYJG-UHFFFAOYSA-N
MW339.27 g/mol
LogP5.17
Rot. Bonds2

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

4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide (PubChem CID 72694224) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is 4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
PubChem CID72694224
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC Name4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C17H20Cl2N2O/c1-17(2)5-3-11(4-6-17)20-16(22)15-9-12-13(19)7-10(18)8-14(12)21-15/h7-9,11,21H,3-6H2,1-2H3,(H,20,22)
InChIKeyNKNGAORFGPSYJG-UHFFFAOYSA-N
XLogP5.17
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.27
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Jnj-7777120
CID 4908365
Org27569
CID 44828492
N-Benzyl-1H-indole-2-carboxamide
CID 8023988
N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 12627221
1-[2-(2,4-dichlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801005
1-[2-(4-chlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801009
1-[(3-chlorophenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801045
(5-chloro-1H-indol-2-yl)(piperazino)methanone
CID 21638785
N-Benzyl,N-methyl-1H-indole-2-carboxamide
CID 23020609
1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 23647200
N-(3-Phenylpropyl)-1H-indole-2-carboxamide
CID 27647057
N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide
CID 72711190

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide (CID 72694224) is 4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide is CC1(C)CCC(NC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)CC1.
What is the InChIKey of 4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide?
The InChIKey is NKNGAORFGPSYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O/c1-17(2)5-3-11(4-6-17)20-16(22)15-9-12-13(19)7-10(18)8-14(12)21-15/h7-9,11,21H,3-6H2,1-2H3,(H,20,22).
What are the key properties of 4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide?
4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide has a molecular weight of 339.27 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 72694224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).