N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide

C19H20F2N2O4 — CID 9214852

IUPACN-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C(/C)c2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C19H20F2N2O4/c1-4-26-15-8-5-13(6-9-15)18(24)23-22-12(2)14-7-10-16(27-19(20)21)17(11-14)25-3/h5-11,19H,4H2,1-3H3,(H,23,24)/b22-12-
InChIKeyPSWRRIOARUFHGZ-UUYOSTAYSA-N
MW378.38 g/mol
LogP3.85
Rot. Bonds8

About N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide

N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide (PubChem CID 9214852) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide
PubChem CID9214852
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC NameN-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C(/C)c2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C19H20F2N2O4/c1-4-26-15-8-5-13(6-9-15)18(24)23-22-12(2)14-7-10-16(27-19(20)21)17(11-14)25-3/h5-11,19H,4H2,1-3H3,(H,23,24)/b22-12-
InChIKeyPSWRRIOARUFHGZ-UUYOSTAYSA-N
XLogP3.85
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide
CID 9357688
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026580
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 75850114
4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 2392872
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide (CID 9214852) is N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C(/C)c2ccc(OC(F)F)c(OC)c2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide?
The InChIKey is PSWRRIOARUFHGZ-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-4-26-15-8-5-13(6-9-15)18(24)23-22-12(2)14-7-10-16(27-19(20)21)17(11-14)25-3/h5-11,19H,4H2,1-3H3,(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide?
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide has a molecular weight of 378.38 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 9214852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).