N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide

C18H15FN2O2 — CID 127045404

IUPACN-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N(c1cccc(F)c1)c1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C18H15FN2O2/c1-12(22)20-11-18(16-8-3-4-9-17(16)20)21(13(2)23)15-7-5-6-14(19)10-15/h3-11H,1-2H3
InChIKeyYABKBWJTGOAJAC-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.13
Rot. Bonds2

About N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide

N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 127045404) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide
PubChem CID127045404
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N(c1cccc(F)c1)c1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C18H15FN2O2/c1-12(22)20-11-18(16-8-3-4-9-17(16)20)21(13(2)23)15-7-5-6-14(19)10-15/h3-11H,1-2H3
InChIKeyYABKBWJTGOAJAC-UHFFFAOYSA-N
XLogP4.13
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylindol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
CID 91971412
1-(5-fluoro-3-hydroxyindol-1-yl)ethanone
CID 54290533
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide
CID 113212964
1-[3-[(1-acetylindol-3-yl)-(2-phenyl-1H-indol-3-yl)amino]indol-1-yl]ethanone
CID 101242968
1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone
CID 2174852
N-(3-fluorophenyl)-N-(4-nitroso-2-pyridinyl)acetamide
CID 169022978
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
2-(N-acetyl-3-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113177751
(E)-4-(1-acetylindol-3-yl)but-3-en-2-one
CID 775095
2-(3-fluorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340234

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide (CID 127045404) is N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide is CC(=O)N(c1cccc(F)c1)c1cn(C(C)=O)c2ccccc12.
What is the InChIKey of N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is YABKBWJTGOAJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12(22)20-11-18(16-8-3-4-9-17(16)20)21(13(2)23)15-7-5-6-14(19)10-15/h3-11H,1-2H3.
What are the key properties of N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide?
N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 310.33 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylindol-3-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 127045404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).