N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide

C19H20F2N2O4 — CID 9215041

IUPACN-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2cccc(OCC)c2OC(F)F)cc1
InChIInChI=1S/C19H20F2N2O4/c1-3-25-15-10-8-13(9-11-15)18(24)23-22-12-14-6-5-7-16(26-4-2)17(14)27-19(20)21/h5-12,19H,3-4H2,1-2H3,(H,23,24)/b22-12-
InChIKeyGROWOSHRKLOCPT-UUYOSTAYSA-N
MW378.38 g/mol
LogP3.85
Rot. Bonds9

About N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide

N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide (PubChem CID 9215041) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide
PubChem CID9215041
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC NameN-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2cccc(OCC)c2OC(F)F)cc1
InChIInChI=1S/C19H20F2N2O4/c1-3-25-15-10-8-13(9-11-15)18(24)23-22-12-14-6-5-7-16(26-4-2)17(14)27-19(20)21/h5-12,19H,3-4H2,1-2H3,(H,23,24)/b22-12-
InChIKeyGROWOSHRKLOCPT-UUYOSTAYSA-N
XLogP3.85
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 9357743
2-(4-chlorophenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 9358652
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide
CID 9215847
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 9316755
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 9231738
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 9015092
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5403359
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide (CID 9215041) is N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C\c2cccc(OCC)c2OC(F)F)cc1.
What is the InChIKey of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide?
The InChIKey is GROWOSHRKLOCPT-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-3-25-15-10-8-13(9-11-15)18(24)23-22-12-14-6-5-7-16(26-4-2)17(14)27-19(20)21/h5-12,19H,3-4H2,1-2H3,(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide?
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide has a molecular weight of 378.38 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 9215041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).