1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide

C16H19FN2O2 — CID 113212403

IUPAC1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide
SMILESCCCCN(C)C(=O)c1cn(C(C)=O)c2ccc(F)cc12
InChIInChI=1S/C16H19FN2O2/c1-4-5-8-18(3)16(21)14-10-19(11(2)20)15-7-6-12(17)9-13(14)15/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeySJFIUEJLVLIWGF-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.31
Rot. Bonds4

About 1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide

1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide (PubChem CID 113212403) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide
PubChem CID113212403
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide
SMILESCCCCN(C)C(=O)c1cn(C(C)=O)c2ccc(F)cc12
InChIInChI=1S/C16H19FN2O2/c1-4-5-8-18(3)16(21)14-10-19(11(2)20)15-7-6-12(17)9-13(14)15/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeySJFIUEJLVLIWGF-UHFFFAOYSA-N
XLogP3.31
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 86978137
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1-(5-fluoro-3-hydroxyindol-1-yl)ethanone
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N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide
CID 113212964
1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide
CID 113212396
4-fluoro-2-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 60875056
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
CID 113212689
3-[4-[butyl(methyl)carbamoyl]-3-fluorophenyl]prop-2-enoic acid
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N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 17019825

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide?
The IUPAC name of 1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide (CID 113212403) is 1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide is CCCCN(C)C(=O)c1cn(C(C)=O)c2ccc(F)cc12.
What is the InChIKey of 1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide?
The InChIKey is SJFIUEJLVLIWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-4-5-8-18(3)16(21)14-10-19(11(2)20)15-7-6-12(17)9-13(14)15/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide?
1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide is sourced from PubChem (CID 113212403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).