(4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone

C15H13FN2O2 — CID 107013248

IUPAC(4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
SMILESNc1cccc2c1CCN2C(=O)c1ccc(F)cc1O
InChIInChI=1S/C15H13FN2O2/c16-9-4-5-11(14(19)8-9)15(20)18-7-6-10-12(17)2-1-3-13(10)18/h1-5,8,19H,6-7,17H2
InChIKeyBKFKTQPSOLLPCM-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.32
Rot. Bonds1

About (4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone

(4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone (PubChem CID 107013248) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is (4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
PubChem CID107013248
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name(4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
SMILESNc1cccc2c1CCN2C(=O)c1ccc(F)cc1O
InChIInChI=1S/C15H13FN2O2/c16-9-4-5-11(14(19)8-9)15(20)18-7-6-10-12(17)2-1-3-13(10)18/h1-5,8,19H,6-7,17H2
InChIKeyBKFKTQPSOLLPCM-UHFFFAOYSA-N
XLogP2.32
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.32
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-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 82712007
(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 107721480
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-fluorophenyl)methanone
CID 82711987
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone
CID 82711974
(4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65434753
(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368569
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 80537259
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237157
(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone
CID 107937533

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone (CID 107013248) is (4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone is Nc1cccc2c1CCN2C(=O)c1ccc(F)cc1O.
What is the InChIKey of (4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is BKFKTQPSOLLPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-9-4-5-11(14(19)8-9)15(20)18-7-6-10-12(17)2-1-3-13(10)18/h1-5,8,19H,6-7,17H2.
What are the key properties of (4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
(4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 272.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 107013248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).