4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide

C24H23FN2O4 — CID 126315816

IUPAC4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1OC
InChIInChI=1S/C24H23FN2O4/c1-3-30-22-12-9-19(14-23(22)29-2)24(28)27-26-15-18-5-4-6-21(13-18)31-16-17-7-10-20(25)11-8-17/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15+
InChIKeyKOFLKELWEDPTRX-CVKSISIWSA-N
MW422.46 g/mol
LogP4.58
Rot. Bonds9

About 4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide

4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide (PubChem CID 126315816) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
PubChem CID126315816
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1OC
InChIInChI=1S/C24H23FN2O4/c1-3-30-22-12-9-19(14-23(22)29-2)24(28)27-26-15-18-5-4-6-21(13-18)31-16-17-7-10-20(25)11-8-17/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15+
InChIKeyKOFLKELWEDPTRX-CVKSISIWSA-N
XLogP4.58
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.58
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'}

Analyze 4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329870
4-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126325384
4-[[3-[(E)-[(3-methoxy-4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126307230
N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6872882
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126327983
2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126329068
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
4-[[2-ethoxy-4-[(E)-[(4-ethoxy-3-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126321160
3-ethoxy-N-[(E)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126326150
N-[(E)-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126331879
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94829935
3-ethoxy-4-phenylmethoxy-N-[(E)-(3-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 126326615

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide?
The IUPAC name of 4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide (CID 126315816) is 4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide?
The canonical SMILES for 4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide is CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1OC.
What is the InChIKey of 4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide?
The InChIKey is KOFLKELWEDPTRX-CVKSISIWSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-3-30-22-12-9-19(14-23(22)29-2)24(28)27-26-15-18-5-4-6-21(13-18)31-16-17-7-10-20(25)11-8-17/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15+.
What are the key properties of 4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide?
4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide has a molecular weight of 422.46 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 126315816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).