2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone

C17H15BrN2O2 — CID 7670644

IUPAC2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CO/N=C\c1ccccc1Br)N1CCc2ccccc21
InChIInChI=1S/C17H15BrN2O2/c18-15-7-3-1-6-14(15)11-19-22-12-17(21)20-10-9-13-5-2-4-8-16(13)20/h1-8,11H,9-10,12H2/b19-11-
InChIKeyWDOAKBNOVZJDGI-ODLFYWEKSA-N
MW359.22 g/mol
LogP3.39
Rot. Bonds4

About 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone

2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 7670644) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID7670644
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CO/N=C\c1ccccc1Br)N1CCc2ccccc21
InChIInChI=1S/C17H15BrN2O2/c18-15-7-3-1-6-14(15)11-19-22-12-17(21)20-10-9-13-5-2-4-8-16(13)20/h1-8,11H,9-10,12H2/b19-11-
InChIKeyWDOAKBNOVZJDGI-ODLFYWEKSA-N
XLogP3.39
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 2446276
2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 2446018
2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 6905784
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone
CID 6902967
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone
CID 9355348
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde
CID 7568920
2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 42069057
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide
CID 51228665

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone (CID 7670644) is 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CO/N=C\c1ccccc1Br)N1CCc2ccccc21.
What is the InChIKey of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is WDOAKBNOVZJDGI-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-15-7-3-1-6-14(15)11-19-22-12-17(21)20-10-9-13-5-2-4-8-16(13)20/h1-8,11H,9-10,12H2/b19-11-.
What are the key properties of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone?
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 359.22 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 7670644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).