6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide

C15H16F2N2O — CID 166318181

IUPAC6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC2CC(C)(F)C2)[nH]c2cc(F)ccc12
InChIInChI=1S/C15H16F2N2O/c1-8-11-4-3-9(16)5-12(11)19-13(8)14(20)18-10-6-15(2,17)7-10/h3-5,10,19H,6-7H2,1-2H3,(H,18,20)
InChIKeyOAICCWMGZAVLJW-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.24
Rot. Bonds2

About 6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide

6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 166318181) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide
PubChem CID166318181
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC2CC(C)(F)C2)[nH]c2cc(F)ccc12
InChIInChI=1S/C15H16F2N2O/c1-8-11-4-3-9(16)5-12(11)19-13(8)14(20)18-10-6-15(2,17)7-10/h3-5,10,19H,6-7H2,1-2H3,(H,18,20)
InChIKeyOAICCWMGZAVLJW-UHFFFAOYSA-N
XLogP3.24
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide (CID 166318181) is 6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide is Cc1c(C(=O)NC2CC(C)(F)C2)[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide?
The InChIKey is OAICCWMGZAVLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-8-11-4-3-9(16)5-12(11)19-13(8)14(20)18-10-6-15(2,17)7-10/h3-5,10,19H,6-7H2,1-2H3,(H,18,20).
What are the key properties of 6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide?
6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 278.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166318181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).