3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide

C16H19FN2O2 — CID 117098791

IUPAC3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(=O)c1cn(CCC(=O)NC(C)C)c2c(F)cccc12
InChIInChI=1S/C16H19FN2O2/c1-10(2)18-15(21)7-8-19-9-13(11(3)20)12-5-4-6-14(17)16(12)19/h4-6,9-10H,7-8H2,1-3H3,(H,18,21)
InChIKeyFFSVVLMFOCTZPY-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.90
Rot. Bonds5

About 3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide

3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 117098791) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide
PubChem CID117098791
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(=O)c1cn(CCC(=O)NC(C)C)c2c(F)cccc12
InChIInChI=1S/C16H19FN2O2/c1-10(2)18-15(21)7-8-19-9-13(11(3)20)12-5-4-6-14(17)16(12)19/h4-6,9-10H,7-8H2,1-3H3,(H,18,21)
InChIKeyFFSVVLMFOCTZPY-UHFFFAOYSA-N
XLogP2.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-acetyl-7-fluoroindol-1-yl)butanamide
CID 117098786
1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone
CID 117098778
1-[1-(2,3-dihydroxypropyl)-7-fluoroindol-3-yl]ethanone
CID 117098768
2-(3-acetyl-7-fluoroindol-1-yl)acetonitrile
CID 117098761
1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone
CID 117098756
ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate
CID 117098558
4-(3-acetyl-7-methylindol-1-yl)butanoic acid
CID 117098575
3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide
CID 62623240
3-[(2,6-difluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684717
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
CID 54938590
1-(1-butyl-7-chloroindol-3-yl)ethanone
CID 117098510
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide (CID 117098791) is 3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide is CC(=O)c1cn(CCC(=O)NC(C)C)c2c(F)cccc12.
What is the InChIKey of 3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is FFSVVLMFOCTZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-10(2)18-15(21)7-8-19-9-13(11(3)20)12-5-4-6-14(17)16(12)19/h4-6,9-10H,7-8H2,1-3H3,(H,18,21).
What are the key properties of 3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide?
3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 290.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetyl-7-fluoroindol-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 117098791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).