(3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one

C18H13F4NO3 — CID 7972081

IUPAC(3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one
SMILESCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2OC(F)F)c2ccccc21
InChIInChI=1S/C18H13F4NO3/c1-23-14-5-3-2-4-12(14)13(16(23)24)8-10-6-7-11(25-17(19)20)9-15(10)26-18(21)22/h2-9,17-18H,1H3/b13-8-
InChIKeyMPXVPTXYHKRAOB-JYRVWZFOSA-N
MW367.30 g/mol
LogP4.41
Rot. Bonds5

About (3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one

(3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one (PubChem CID 7972081) has the molecular formula C18H13F4NO3 and a molecular weight of 367.30 g/mol. Its IUPAC name is (3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one
PubChem CID7972081
Molecular FormulaC18H13F4NO3
Molecular Weight367.30 g/mol
Exact Mass367.08
IUPAC Name(3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one
SMILESCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2OC(F)F)c2ccccc21
InChIInChI=1S/C18H13F4NO3/c1-23-14-5-3-2-4-12(14)13(16(23)24)8-10-6-7-11(25-17(19)20)9-15(10)26-18(21)22/h2-9,17-18H,1H3/b13-8-
InChIKeyMPXVPTXYHKRAOB-JYRVWZFOSA-N
XLogP4.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3E)-1-methyl-3-[(2,4,5-trimethoxyphenyl)methylidene]indol-2-one
CID 7528411
3-[(4-bromo-2-fluorophenyl)methylidene]-1-methylindol-2-one
CID 78497428
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
(3E)-3-[(2-hydroxyphenyl)methylidene]-1-methylindol-2-one
CID 139193133
3-[(5-bromo-2-methoxyphenyl)methylidene]-1-methylindol-2-one
CID 3496594
3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one
CID 964278
(3Z)-3-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-1-methylindol-2-one
CID 9188107
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126141856
(3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126117097
2-[(4Z)-4-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-dioxoisoquinolin-2-yl]acetate
CID 9367634
(3Z)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
CID 964149
(3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
CID 964148

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one?
The IUPAC name of (3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one (CID 7972081) is (3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one.
What is the SMILES notation for (3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one?
The canonical SMILES for (3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one is CN1C(=O)/C(=C\c2ccc(OC(F)F)cc2OC(F)F)c2ccccc21.
What is the InChIKey of (3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one?
The InChIKey is MPXVPTXYHKRAOB-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H13F4NO3/c1-23-14-5-3-2-4-12(14)13(16(23)24)8-10-6-7-11(25-17(19)20)9-15(10)26-18(21)22/h2-9,17-18H,1H3/b13-8-.
What are the key properties of (3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one?
(3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one has a molecular weight of 367.30 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one is sourced from PubChem (CID 7972081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).