N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide

C19H20F2N2O6 — CID 9231738

IUPACN-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
SMILESCOc1cccc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)c1OC(F)F
InChIInChI=1S/C19H20F2N2O6/c1-25-13-7-5-6-11(16(13)29-19(20)21)10-22-23-18(24)12-8-14(26-2)17(28-4)15(9-12)27-3/h5-10,19H,1-4H3,(H,23,24)/b22-10-
InChIKeyJSFRUCSCLSPDRZ-YVNNLAQVSA-N
MW410.37 g/mol
LogP3.09
Rot. Bonds9

About N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide

N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide (PubChem CID 9231738) has the molecular formula C19H20F2N2O6 and a molecular weight of 410.37 g/mol. Its IUPAC name is N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
PubChem CID9231738
Molecular FormulaC19H20F2N2O6
Molecular Weight410.37 g/mol
Exact Mass410.13
IUPAC NameN-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
SMILESCOc1cccc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)c1OC(F)F
InChIInChI=1S/C19H20F2N2O6/c1-25-13-7-5-6-11(16(13)29-19(20)21)10-22-23-18(24)12-8-14(26-2)17(28-4)15(9-12)27-3/h5-10,19H,1-4H3,(H,23,24)/b22-10-
InChIKeyJSFRUCSCLSPDRZ-YVNNLAQVSA-N
XLogP3.09
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 9015092
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 9077721
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide
CID 9215847
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 9215041
(2S)-2-[2-methoxy-6-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126249537
3,4,5-trimethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 6875972
3,4,5-trimethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5435097
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide (CID 9231738) is N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide is COc1cccc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)c1OC(F)F.
What is the InChIKey of N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide?
The InChIKey is JSFRUCSCLSPDRZ-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H20F2N2O6/c1-25-13-7-5-6-11(16(13)29-19(20)21)10-22-23-18(24)12-8-14(26-2)17(28-4)15(9-12)27-3/h5-10,19H,1-4H3,(H,23,24)/b22-10-.
What are the key properties of N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide?
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide has a molecular weight of 410.37 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 9231738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).