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

C17H20F2N2O — CID 72711190

IUPACN-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1
InChIInChI=1S/C17H20F2N2O/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)
InChIKeyUATYSFRIVIHVKL-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.14
Rot. Bonds2

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

N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide (PubChem CID 72711190) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide
PubChem CID72711190
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC NameN-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1
InChIInChI=1S/C17H20F2N2O/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)
InChIKeyUATYSFRIVIHVKL-UHFFFAOYSA-N
XLogP4.14
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide (CID 72711190) is N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide is CC1(C)CCC(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide?
The InChIKey is UATYSFRIVIHVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O/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 N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide?
N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 72711190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).