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

C24H21Cl2IN2O4 — CID 3329180

IUPACN-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide
SMILESCCOc1cc(C=NNC(=O)c2cccc(OC)c2)cc(I)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H21Cl2IN2O4/c1-3-32-22-10-15(13-28-29-24(30)16-5-4-6-19(11-16)31-2)9-21(27)23(22)33-14-17-7-8-18(25)12-20(17)26/h4-13H,3,14H2,1-2H3,(H,29,30)
InChIKeyRMXXAXCJQHMNLW-UHFFFAOYSA-N
MW599.25 g/mol
LogP6.35
Rot. Bonds9

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

N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide (PubChem CID 3329180) has the molecular formula C24H21Cl2IN2O4 and a molecular weight of 599.25 g/mol. Its IUPAC name is N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide
PubChem CID3329180
Molecular FormulaC24H21Cl2IN2O4
Molecular Weight599.25 g/mol
Exact Mass597.99
IUPAC NameN-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide
SMILESCCOc1cc(C=NNC(=O)c2cccc(OC)c2)cc(I)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H21Cl2IN2O4/c1-3-32-22-10-15(13-28-29-24(30)16-5-4-6-19(11-16)31-2)9-21(27)23(22)33-14-17-7-8-18(25)12-20(17)26/h4-13H,3,14H2,1-2H3,(H,29,30)
InChIKeyRMXXAXCJQHMNLW-UHFFFAOYSA-N
XLogP6.35
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.25
LogP ≤ 56.35
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-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide
CID 17246204
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 124537190
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126321202
N-[1-[2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3947220
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 126145584
2-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]pyridine-3-carboxamide
CID 3992862
4-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126374011
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 110505995
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-methoxybenzamide
CID 126376552
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126323803
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135833086
2-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 124602192

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide (CID 3329180) is N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide is CCOc1cc(C=NNC(=O)c2cccc(OC)c2)cc(I)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide?
The InChIKey is RMXXAXCJQHMNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2IN2O4/c1-3-32-22-10-15(13-28-29-24(30)16-5-4-6-19(11-16)31-2)9-21(27)23(22)33-14-17-7-8-18(25)12-20(17)26/h4-13H,3,14H2,1-2H3,(H,29,30).
What are the key properties of N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide?
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide has a molecular weight of 599.25 g/mol, XLogP of 6.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 3329180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).