2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone

C18H16F2N2O3 — CID 2446018

IUPAC2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CON=Cc1ccc(OC(F)F)cc1)N1CCc2ccccc21
InChIInChI=1S/C18H16F2N2O3/c19-18(20)25-15-7-5-13(6-8-15)11-21-24-12-17(23)22-10-9-14-3-1-2-4-16(14)22/h1-8,11,18H,9-10,12H2
InChIKeyWWKIBLZAKDSVIX-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.23
Rot. Bonds6

About 2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone

2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 2446018) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID2446018
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CON=Cc1ccc(OC(F)F)cc1)N1CCc2ccccc21
InChIInChI=1S/C18H16F2N2O3/c19-18(20)25-15-7-5-13(6-8-15)11-21-24-12-17(23)22-10-9-14-3-1-2-4-16(14)22/h1-8,11,18H,9-10,12H2
InChIKeyWWKIBLZAKDSVIX-UHFFFAOYSA-N
XLogP3.23
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 6905784
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 7670644
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 42975764
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-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 2446276
N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 6905797
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 46541502
1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
CID 1242466
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone (CID 2446018) is 2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CON=Cc1ccc(OC(F)F)cc1)N1CCc2ccccc21.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is WWKIBLZAKDSVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c19-18(20)25-15-7-5-13(6-8-15)11-21-24-12-17(23)22-10-9-14-3-1-2-4-16(14)22/h1-8,11,18H,9-10,12H2.
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone?
2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 346.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 2446018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).