2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone

C16H12F2N2O — CID 110655332

IUPAC2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone
SMILESO=C(CNc1ccc(F)c(F)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12F2N2O/c17-13-6-5-10(7-14(13)18)19-9-16(21)12-8-20-15-4-2-1-3-11(12)15/h1-8,19-20H,9H2
InChIKeyWXVLFJUQNKWQAQ-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.74
Rot. Bonds4

About 2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone

2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone (PubChem CID 110655332) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone
PubChem CID110655332
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone
SMILESO=C(CNc1ccc(F)c(F)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12F2N2O/c17-13-6-5-10(7-14(13)18)19-9-16(21)12-8-20-15-4-2-1-3-11(12)15/h1-8,19-20H,9H2
InChIKeyWXVLFJUQNKWQAQ-UHFFFAOYSA-N
XLogP3.74
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone
CID 110655257
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1H-indol-3-yl)ethanone
CID 110655309
methyl 3-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]benzoate
CID 110655289
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone
CID 110655218
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone
CID 110655324
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
1-chloro-3-(3,4-difluoroanilino)propan-2-one
CID 102052828

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone (CID 110655332) is 2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone is O=C(CNc1ccc(F)c(F)c1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone?
The InChIKey is WXVLFJUQNKWQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-13-6-5-10(7-14(13)18)19-9-16(21)12-8-20-15-4-2-1-3-11(12)15/h1-8,19-20H,9H2.
What are the key properties of 2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone?
2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone has a molecular weight of 286.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110655332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).