N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide

C22H16Cl2I2N2O2 — CID 99665225

IUPACN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1
InChIInChI=1S/C22H16Cl2I2N2O2/c1-13-4-2-3-5-17(13)22(29)28-27-11-14-8-19(25)21(20(26)9-14)30-12-15-6-7-16(23)10-18(15)24/h2-11H,12H2,1H3,(H,28,29)/b27-11-
InChIKeyADJBVEBADMCKCJ-BCHBDCPOSA-N
MW665.10 g/mol
LogP6.85
Rot. Bonds6

About N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide

N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide (PubChem CID 99665225) has the molecular formula C22H16Cl2I2N2O2 and a molecular weight of 665.10 g/mol. Its IUPAC name is N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide
PubChem CID99665225
Molecular FormulaC22H16Cl2I2N2O2
Molecular Weight665.10 g/mol
Exact Mass663.87
IUPAC NameN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1
InChIInChI=1S/C22H16Cl2I2N2O2/c1-13-4-2-3-5-17(13)22(29)28-27-11-14-8-19(25)21(20(26)9-14)30-12-15-6-7-16(23)10-18(15)24/h2-11H,12H2,1H3,(H,28,29)/b27-11-
InChIKeyADJBVEBADMCKCJ-BCHBDCPOSA-N
XLogP6.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.10
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]-2-methoxybenzamide
CID 126145584
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylbenzamide
CID 19060863
2-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 124602192
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 19657624
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide
CID 21380054
2-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]pyridine-3-carboxamide
CID 3992862
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135833086
N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-methylbenzamide
CID 19060876
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide
CID 21380130
2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 19657270
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide
CID 19060884
(2S)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126145973

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide (CID 99665225) is N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide is Cc1ccccc1C(=O)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1.
What is the InChIKey of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide?
The InChIKey is ADJBVEBADMCKCJ-BCHBDCPOSA-N. The full InChI is InChI=1S/C22H16Cl2I2N2O2/c1-13-4-2-3-5-17(13)22(29)28-27-11-14-8-19(25)21(20(26)9-14)30-12-15-6-7-16(23)10-18(15)24/h2-11H,12H2,1H3,(H,28,29)/b27-11-.
What are the key properties of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide?
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide has a molecular weight of 665.10 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 99665225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).