N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide

C25H23Cl2IN2O4 — CID 17246204

IUPACN-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1
InChIInChI=1S/C25H23Cl2IN2O4/c1-3-32-20-9-6-17(7-10-20)25(31)30-29-14-16-11-22(28)24(23(12-16)33-4-2)34-15-18-5-8-19(26)13-21(18)27/h5-14H,3-4,15H2,1-2H3,(H,30,31)/b29-14+
InChIKeyFZPTWOHIPXMIOU-IPPBACCNSA-N
MW613.28 g/mol
LogP6.74
Rot. Bonds10

About N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide

N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide (PubChem CID 17246204) has the molecular formula C25H23Cl2IN2O4 and a molecular weight of 613.28 g/mol. Its IUPAC name is N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide
PubChem CID17246204
Molecular FormulaC25H23Cl2IN2O4
Molecular Weight613.28 g/mol
Exact Mass612.01
IUPAC NameN-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1
InChIInChI=1S/C25H23Cl2IN2O4/c1-3-32-20-9-6-17(7-10-20)25(31)30-29-14-16-11-22(28)24(23(12-16)33-4-2)34-15-18-5-8-19(26)13-21(18)27/h5-14H,3-4,15H2,1-2H3,(H,30,31)/b29-14+
InChIKeyFZPTWOHIPXMIOU-IPPBACCNSA-N
XLogP6.74
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.28
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 124537190
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide
CID 3329180
N-[1-[2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3947220
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-propoxybenzamide
CID 133169492
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126321202
4-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126374011
2-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]pyridine-3-carboxamide
CID 3992862
N-[(E)-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246357
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126325701
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135833086
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-ethoxybenzoate
CID 51062009

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide (CID 17246204) is N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1.
What is the InChIKey of N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide?
The InChIKey is FZPTWOHIPXMIOU-IPPBACCNSA-N. The full InChI is InChI=1S/C25H23Cl2IN2O4/c1-3-32-20-9-6-17(7-10-20)25(31)30-29-14-16-11-22(28)24(23(12-16)33-4-2)34-15-18-5-8-19(26)13-21(18)27/h5-14H,3-4,15H2,1-2H3,(H,30,31)/b29-14+.
What are the key properties of N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide?
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide has a molecular weight of 613.28 g/mol, XLogP of 6.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 17246204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).