6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide

C16H18Cl2N2O — CID 72711188

IUPAC6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccc(Cl)c(Cl)c3[nH]2)CC1
InChIInChI=1S/C16H18Cl2N2O/c1-9-2-5-11(6-3-9)19-16(21)13-8-10-4-7-12(17)14(18)15(10)20-13/h4,7-9,11,20H,2-3,5-6H2,1H3,(H,19,21)
InChIKeyHEESFEOUXIPQIB-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.78
Rot. Bonds2

About 6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide

6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide (PubChem CID 72711188) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
PubChem CID72711188
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccc(Cl)c(Cl)c3[nH]2)CC1
InChIInChI=1S/C16H18Cl2N2O/c1-9-2-5-11(6-3-9)19-16(21)13-8-10-4-7-12(17)14(18)15(10)20-13/h4,7-9,11,20H,2-3,5-6H2,1H3,(H,19,21)
InChIKeyHEESFEOUXIPQIB-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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Related Compounds

Jnj-7777120
CID 4908365
Org27569
CID 44828492
(5-chloro-1H-indol-2-yl)(piperazino)methanone
CID 21638785
Pomotrelvir
CID 162396309
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
1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 23647200
Spiro[piperidine-4,3'-[3H]pyrido[3,4-b]indole]-4'-carbonitrile, 7',8'-dichloro-1',2',4',9'-tetrahydro-9'-methyl-1'-oxo-
CID 54613583
5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
CID 665194
Bauerine C
CID 189883
5-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10007017

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
The IUPAC name of 6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide (CID 72711188) is 6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide is CC1CCC(NC(=O)c2cc3ccc(Cl)c(Cl)c3[nH]2)CC1.
What is the InChIKey of 6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
The InChIKey is HEESFEOUXIPQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-9-2-5-11(6-3-9)19-16(21)13-8-10-4-7-12(17)14(18)15(10)20-13/h4,7-9,11,20H,2-3,5-6H2,1H3,(H,19,21).
What are the key properties of 6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
6,7-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 6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 72711188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).