2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile

C17H16FN3 — CID 62094989

IUPAC2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
SMILESCN1CCc2cc(C(C#N)Nc3ccccc3F)ccc21
InChIInChI=1S/C17H16FN3/c1-21-9-8-13-10-12(6-7-17(13)21)16(11-19)20-15-5-3-2-4-14(15)18/h2-7,10,16,20H,8-9H2,1H3
InChIKeyYSTQFOAOKHPMSC-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.49
Rot. Bonds3

About 2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile

2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile (PubChem CID 62094989) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
PubChem CID62094989
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
SMILESCN1CCc2cc(C(C#N)Nc3ccccc3F)ccc21
InChIInChI=1S/C17H16FN3/c1-21-9-8-13-10-12(6-7-17(13)21)16(11-19)20-15-5-3-2-4-14(15)18/h2-7,10,16,20H,8-9H2,1H3
InChIKeyYSTQFOAOKHPMSC-UHFFFAOYSA-N
XLogP3.49
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
CID 62097595
2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile
CID 61006567
N'-(2-fluorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 90582486
2-(1-methyl-2,3-dihydroindol-5-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62095168
3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 61006470
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-fluorophenyl)oxamide
CID 40890402
(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 51675076
2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 55246340
2-fluoro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30578677
3-hydroxy-2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132572
2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile
CID 55034834

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile?
The IUPAC name of 2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile (CID 62094989) is 2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile.
What is the SMILES notation for 2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile?
The canonical SMILES for 2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile is CN1CCc2cc(C(C#N)Nc3ccccc3F)ccc21.
What is the InChIKey of 2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile?
The InChIKey is YSTQFOAOKHPMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-21-9-8-13-10-12(6-7-17(13)21)16(11-19)20-15-5-3-2-4-14(15)18/h2-7,10,16,20H,8-9H2,1H3.
What are the key properties of 2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile?
2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile has a molecular weight of 281.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile is sourced from PubChem (CID 62094989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).