1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide

C16H19FN2O2 — CID 113212938

IUPAC1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCCC(C)C)c2ccc(F)cc21
InChIInChI=1S/C16H19FN2O2/c1-10(2)6-7-18-16(21)14-9-19(11(3)20)15-8-12(17)4-5-13(14)15/h4-5,8-10H,6-7H2,1-3H3,(H,18,21)
InChIKeySEANYQPJVCOVEY-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.22
Rot. Bonds4

About 1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide

1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide (PubChem CID 113212938) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide
PubChem CID113212938
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCCC(C)C)c2ccc(F)cc21
InChIInChI=1S/C16H19FN2O2/c1-10(2)6-7-18-16(21)14-9-19(11(3)20)15-8-12(17)4-5-13(14)15/h4-5,8-10H,6-7H2,1-3H3,(H,18,21)
InChIKeySEANYQPJVCOVEY-UHFFFAOYSA-N
XLogP3.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide
CID 113212590
1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide
CID 113212878
1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide
CID 113212889
1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide
CID 113212918
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389
1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide
CID 113213002
1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide
CID 113212988
1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide
CID 113212396
1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide
CID 113212964
1-acetyl-N-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carboxamide
CID 113213026
1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 113213013
1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 113212364

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide (CID 113212938) is 1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide is CC(=O)n1cc(C(=O)NCCC(C)C)c2ccc(F)cc21.
What is the InChIKey of 1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide?
The InChIKey is SEANYQPJVCOVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-10(2)6-7-18-16(21)14-9-19(11(3)20)15-8-12(17)4-5-13(14)15/h4-5,8-10H,6-7H2,1-3H3,(H,18,21).
What are the key properties of 1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide?
1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide is sourced from PubChem (CID 113212938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).