2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide

C23H17F5N2O4 — CID 24818622

IUPAC2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccccc2OC)cc1COc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C23H17F5N2O4/c1-32-15-8-7-12(10-29-30-23(31)14-5-3-4-6-16(14)33-2)9-13(15)11-34-22-20(27)18(25)17(24)19(26)21(22)28/h3-10H,11H2,1-2H3,(H,30,31)
InChIKeySISYZDHIYNAYIQ-UHFFFAOYSA-N
MW480.39 g/mol
LogP4.74
Rot. Bonds8

About 2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide

2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide (PubChem CID 24818622) has the molecular formula C23H17F5N2O4 and a molecular weight of 480.39 g/mol. Its IUPAC name is 2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide
PubChem CID24818622
Molecular FormulaC23H17F5N2O4
Molecular Weight480.39 g/mol
Exact Mass480.11
IUPAC Name2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccccc2OC)cc1COc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C23H17F5N2O4/c1-32-15-8-7-12(10-29-30-23(31)14-5-3-4-6-16(14)33-2)9-13(15)11-34-22-20(27)18(25)17(24)19(26)21(22)28/h3-10H,11H2,1-2H3,(H,30,31)
InChIKeySISYZDHIYNAYIQ-UHFFFAOYSA-N
XLogP4.74
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide with MolForge

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Related Compounds

4-methoxy-N-[(E)-[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methylideneamino]benzamide
CID 25237190
2-bromo-N-[(E)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 39818748
N-[(Z)-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 6160205
N-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 4051654
4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide
CID 28776247
N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 110505817
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505837
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 96883251
2-[(2E)-2-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 19578665

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide?
The IUPAC name of 2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide (CID 24818622) is 2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide is COc1ccc(C=NNC(=O)c2ccccc2OC)cc1COc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide?
The InChIKey is SISYZDHIYNAYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F5N2O4/c1-32-15-8-7-12(10-29-30-23(31)14-5-3-4-6-16(14)33-2)9-13(15)11-34-22-20(27)18(25)17(24)19(26)21(22)28/h3-10H,11H2,1-2H3,(H,30,31).
What are the key properties of 2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide?
2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide has a molecular weight of 480.39 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 24818622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).