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

C15H12BrFN2O — CID 114455629

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone
SMILESNc1cccc2c1N(C(=O)c1cccc(F)c1Br)CC2
InChIInChI=1S/C15H12BrFN2O/c16-13-10(4-2-5-11(13)17)15(20)19-8-7-9-3-1-6-12(18)14(9)19/h1-6H,7-8,18H2
InChIKeyMWNSHXZHONYKQT-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.37
Rot. Bonds1

About (7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone (PubChem CID 114455629) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone
PubChem CID114455629
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone
SMILESNc1cccc2c1N(C(=O)c1cccc(F)c1Br)CC2
InChIInChI=1S/C15H12BrFN2O/c16-13-10(4-2-5-11(13)17)15(20)19-8-7-9-3-1-6-12(18)14(9)19/h1-6H,7-8,18H2
InChIKeyMWNSHXZHONYKQT-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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Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone (CID 114455629) is (7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone is Nc1cccc2c1N(C(=O)c1cccc(F)c1Br)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone?
The InChIKey is MWNSHXZHONYKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c16-13-10(4-2-5-11(13)17)15(20)19-8-7-9-3-1-6-12(18)14(9)19/h1-6H,7-8,18H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-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 (7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone is sourced from PubChem (CID 114455629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).