N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide

C15H19FN2O — CID 75448080

IUPACN-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2cc(F)ccc12)C(C)(C)C
InChIInChI=1S/C15H19FN2O/c1-9(15(2,3)4)18-14(19)12-8-17-13-7-10(16)5-6-11(12)13/h5-9,17H,1-4H3,(H,18,19)
InChIKeyISUZWTDAMHKKLD-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.47
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide

N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide (PubChem CID 75448080) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide
PubChem CID75448080
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2cc(F)ccc12)C(C)(C)C
InChIInChI=1S/C15H19FN2O/c1-9(15(2,3)4)18-14(19)12-8-17-13-7-10(16)5-6-11(12)13/h5-9,17H,1-4H3,(H,18,19)
InChIKeyISUZWTDAMHKKLD-UHFFFAOYSA-N
XLogP3.47
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206252
2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208619
N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206270
N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210289
N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206264
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide (CID 75448080) is N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide is CC(NC(=O)c1c[nH]c2cc(F)ccc12)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide?
The InChIKey is ISUZWTDAMHKKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-9(15(2,3)4)18-14(19)12-8-17-13-7-10(16)5-6-11(12)13/h5-9,17H,1-4H3,(H,18,19).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide is sourced from PubChem (CID 75448080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).