2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone

C16H13FN2O — CID 110655257

IUPAC2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone
SMILESO=C(CNc1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13FN2O/c17-11-5-7-12(8-6-11)18-10-16(20)14-9-19-15-4-2-1-3-13(14)15/h1-9,18-19H,10H2
InChIKeyPBEBEEQCEBRRMH-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.60
Rot. Bonds4

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

2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone (PubChem CID 110655257) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone
PubChem CID110655257
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone
SMILESO=C(CNc1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13FN2O/c17-11-5-7-12(8-6-11)18-10-16(20)14-9-19-15-4-2-1-3-13(14)15/h1-9,18-19H,10H2
InChIKeyPBEBEEQCEBRRMH-UHFFFAOYSA-N
XLogP3.60
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone
CID 110655332
2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone
CID 110655218
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1H-indol-3-yl)ethanone
CID 110655309
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
methyl 3-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]benzoate
CID 110655289
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone
CID 110655324
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
N-(6-fluoro-3-pyridinyl)-1H-indole-3-carboxamide
CID 103789953

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone (CID 110655257) is 2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone is O=C(CNc1ccc(F)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone?
The InChIKey is PBEBEEQCEBRRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-11-5-7-12(8-6-11)18-10-16(20)14-9-19-15-4-2-1-3-13(14)15/h1-9,18-19H,10H2.
What are the key properties of 2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone?
2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone has a molecular weight of 268.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110655257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).