3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide

C32H29FIN3O6 — CID 126366956

IUPAC3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide
SMILESCCOc1cc(C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1
InChIInChI=1S/C32H29FIN3O6/c1-3-41-28-17-23(9-14-27(28)42-19-21-7-5-4-6-8-21)32(39)37-35-18-22-15-26(34)31(29(16-22)40-2)43-20-30(38)36-25-12-10-24(33)11-13-25/h4-18H,3,19-20H2,1-2H3,(H,36,38)(H,37,39)/b35-18+
InChIKeyFIIRJLSMCYFJFH-MWBNBJEGSA-N
MW697.50 g/mol
LogP6.20
Rot. Bonds13

About 3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide

3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide (PubChem CID 126366956) has the molecular formula C32H29FIN3O6 and a molecular weight of 697.50 g/mol. Its IUPAC name is 3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide
PubChem CID126366956
Molecular FormulaC32H29FIN3O6
Molecular Weight697.50 g/mol
Exact Mass697.11
IUPAC Name3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide
SMILESCCOc1cc(C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1
InChIInChI=1S/C32H29FIN3O6/c1-3-41-28-17-23(9-14-27(28)42-19-21-7-5-4-6-8-21)32(39)37-35-18-22-15-26(34)31(29(16-22)40-2)43-20-30(38)36-25-12-10-24(33)11-13-25/h4-18H,3,19-20H2,1-2H3,(H,36,38)(H,37,39)/b35-18+
InChIKeyFIIRJLSMCYFJFH-MWBNBJEGSA-N
XLogP6.20
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.50
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide 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)-[4-(2-anilino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126323799
3-ethoxy-N-[(E)-[3-ethoxy-5-iodo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 126333134
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126265967
N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126330932
3-ethoxy-N-[(E)-[3-iodo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 126325443
N-[(E)-[3-ethoxy-5-iodo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126322604
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126329427
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126327983
N-[(E)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126309260
3,4-diethoxy-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126336688
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126321980
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126324291

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of 3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide (CID 126366956) is 3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for 3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide is CCOc1cc(C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccccc1.
What is the InChIKey of 3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is FIIRJLSMCYFJFH-MWBNBJEGSA-N. The full InChI is InChI=1S/C32H29FIN3O6/c1-3-41-28-17-23(9-14-27(28)42-19-21-7-5-4-6-8-21)32(39)37-35-18-22-15-26(34)31(29(16-22)40-2)43-20-30(38)36-25-12-10-24(33)11-13-25/h4-18H,3,19-20H2,1-2H3,(H,36,38)(H,37,39)/b35-18+.
What are the key properties of 3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide?
3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide has a molecular weight of 697.50 g/mol, XLogP of 6.20, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-phenylmethoxybenzamide is sourced from PubChem (CID 126366956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).