[5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone

C19H16F2N2O2 — CID 167079167

IUPAC[5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone
SMILESC=Nc1cc(C)c(C(=O)n2ccc3cc(OC(F)F)ccc32)cc1C
InChIInChI=1S/C19H16F2N2O2/c1-11-9-16(22-3)12(2)8-15(11)18(24)23-7-6-13-10-14(25-19(20)21)4-5-17(13)23/h4-10,19H,3H2,1-2H3
InChIKeyHXWODZIISNYVCN-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.88
Rot. Bonds4

About [5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone

[5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone (PubChem CID 167079167) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is [5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone.

Molecular Properties

Compound Name[5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone
PubChem CID167079167
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone
SMILESC=Nc1cc(C)c(C(=O)n2ccc3cc(OC(F)F)ccc32)cc1C
InChIInChI=1S/C19H16F2N2O2/c1-11-9-16(22-3)12(2)8-15(11)18(24)23-7-6-13-10-14(25-19(20)21)4-5-17(13)23/h4-10,19H,3H2,1-2H3
InChIKeyHXWODZIISNYVCN-UHFFFAOYSA-N
XLogP4.88
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone?
The IUPAC name of [5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone (CID 167079167) is [5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone.
What is the SMILES notation for [5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone?
The canonical SMILES for [5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone is C=Nc1cc(C)c(C(=O)n2ccc3cc(OC(F)F)ccc32)cc1C.
What is the InChIKey of [5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone?
The InChIKey is HXWODZIISNYVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-11-9-16(22-3)12(2)8-15(11)18(24)23-7-6-13-10-14(25-19(20)21)4-5-17(13)23/h4-10,19H,3H2,1-2H3.
What are the key properties of [5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone?
[5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone has a molecular weight of 342.35 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone is sourced from PubChem (CID 167079167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).