(5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone

C15H12BrFN2O — CID 43248167

IUPAC(5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
SMILESNc1ccc2c(c1)CCN2C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H12BrFN2O/c16-11-5-10(6-12(17)8-11)15(20)19-4-3-9-7-13(18)1-2-14(9)19/h1-2,5-8H,3-4,18H2
InChIKeyOIUQEXBHCUKRKB-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.37
Rot. Bonds1

About (5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone

(5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone (PubChem CID 43248167) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is (5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
PubChem CID43248167
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name(5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
SMILESNc1ccc2c(c1)CCN2C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H12BrFN2O/c16-11-5-10(6-12(17)8-11)15(20)19-4-3-9-7-13(18)1-2-14(9)19/h1-2,5-8H,3-4,18H2
InChIKeyOIUQEXBHCUKRKB-UHFFFAOYSA-N
XLogP3.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 47444598
(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875817
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
(5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone
CID 142623956
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-6-fluorophenyl)methanone
CID 114558361
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345
(5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62056525
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768
[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46472827
(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
CID 47444577
1-(5-amino-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 90209639

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone?
The IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone (CID 43248167) is (5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone?
The canonical SMILES for (5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone is Nc1ccc2c(c1)CCN2C(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of (5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone?
The InChIKey is OIUQEXBHCUKRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c16-11-5-10(6-12(17)8-11)15(20)19-4-3-9-7-13(18)1-2-14(9)19/h1-2,5-8H,3-4,18H2.
What are the key properties of (5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone?
(5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone has a molecular weight of 335.18 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone is sourced from PubChem (CID 43248167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).