(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone

C16H15FN2O2 — CID 115298349

IUPAC(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCC1Cc2cc(N)ccc2N1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C16H15FN2O2/c1-9-6-10-7-12(18)3-4-14(10)19(9)16(21)13-8-11(17)2-5-15(13)20/h2-5,7-9,20H,6,18H2,1H3
InChIKeyUOMAESUANPGROE-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.70
Rot. Bonds1

About (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 115298349) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID115298349
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCC1Cc2cc(N)ccc2N1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C16H15FN2O2/c1-9-6-10-7-12(18)3-4-14(10)19(9)16(21)13-8-11(17)2-5-15(13)20/h2-5,7-9,20H,6,18H2,1H3
InChIKeyUOMAESUANPGROE-UHFFFAOYSA-N
XLogP2.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674510
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
CID 107999893
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 133239491
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone
CID 114367699
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 43550159
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 43550098
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278189
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79985768
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152708
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone
CID 107174842

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone (CID 115298349) is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone is CC1Cc2cc(N)ccc2N1C(=O)c1cc(F)ccc1O.
What is the InChIKey of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is UOMAESUANPGROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-9-6-10-7-12(18)3-4-14(10)19(9)16(21)13-8-11(17)2-5-15(13)20/h2-5,7-9,20H,6,18H2,1H3.
What are the key properties of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 286.31 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 115298349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).