N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide

C23H19Cl2IN2O4 — CID 126145584

IUPACN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C23H19Cl2IN2O4/c1-30-20-6-4-3-5-17(20)23(29)28-27-12-14-9-19(26)22(21(10-14)31-2)32-13-15-7-8-16(24)11-18(15)25/h3-12H,13H2,1-2H3,(H,28,29)/b27-12-
InChIKeyCHCLFLSKXHWIIB-PPDIBHTLSA-N
MW585.23 g/mol
LogP5.96
Rot. Bonds8

About N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide

N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide (PubChem CID 126145584) has the molecular formula C23H19Cl2IN2O4 and a molecular weight of 585.23 g/mol. Its IUPAC name is N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide
PubChem CID126145584
Molecular FormulaC23H19Cl2IN2O4
Molecular Weight585.23 g/mol
Exact Mass583.98
IUPAC NameN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C23H19Cl2IN2O4/c1-30-20-6-4-3-5-17(20)23(29)28-27-12-14-9-19(26)22(21(10-14)31-2)32-13-15-7-8-16(24)11-18(15)25/h3-12H,13H2,1-2H3,(H,28,29)/b27-12-
InChIKeyCHCLFLSKXHWIIB-PPDIBHTLSA-N
XLogP5.96
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.23
LogP ≤ 55.96
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

2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 19657624
2-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 124602192
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-methoxybenzamide
CID 126376552
4-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126374011
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide
CID 99665225
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 124537190
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135833086
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylbenzamide
CID 19060863
(2S)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126145973
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126251707
2-(4-chloroanilino)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]acetamide
CID 126367601
2-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]pyridine-3-carboxamide
CID 3992862

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide (CID 126145584) is N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide?
The InChIKey is CHCLFLSKXHWIIB-PPDIBHTLSA-N. The full InChI is InChI=1S/C23H19Cl2IN2O4/c1-30-20-6-4-3-5-17(20)23(29)28-27-12-14-9-19(26)22(21(10-14)31-2)32-13-15-7-8-16(24)11-18(15)25/h3-12H,13H2,1-2H3,(H,28,29)/b27-12-.
What are the key properties of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide?
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide has a molecular weight of 585.23 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 126145584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).