N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide

C24H22ClI2N3O3 — CID 126049956

IUPACN-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide
SMILESCCOc1cc(/C=N\NC(=O)CNc2ccc(I)cc2)cc(I)c1OCc1ccccc1Cl
InChIInChI=1S/C24H22ClI2N3O3/c1-2-32-22-12-16(11-21(27)24(22)33-15-17-5-3-4-6-20(17)25)13-29-30-23(31)14-28-19-9-7-18(26)8-10-19/h3-13,28H,2,14-15H2,1H3,(H,30,31)/b29-13-
InChIKeyROZMDNLLDOTDTR-DBFSUHOCSA-N
MW689.72 g/mol
LogP6.09
Rot. Bonds10

About N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide

N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide (PubChem CID 126049956) has the molecular formula C24H22ClI2N3O3 and a molecular weight of 689.72 g/mol. Its IUPAC name is N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide
PubChem CID126049956
Molecular FormulaC24H22ClI2N3O3
Molecular Weight689.72 g/mol
Exact Mass688.94
IUPAC NameN-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide
SMILESCCOc1cc(/C=N\NC(=O)CNc2ccc(I)cc2)cc(I)c1OCc1ccccc1Cl
InChIInChI=1S/C24H22ClI2N3O3/c1-2-32-22-12-16(11-21(27)24(22)33-15-17-5-3-4-6-20(17)25)13-29-30-23(31)14-28-19-9-7-18(26)8-10-19/h3-13,28H,2,14-15H2,1H3,(H,30,31)/b29-13-
InChIKeyROZMDNLLDOTDTR-DBFSUHOCSA-N
XLogP6.09
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.72
LogP ≤ 56.09
H-Bond Donors ≤ 52
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-anilino-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide
CID 126390386
2-(4-bromoanilino)-N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]acetamide
CID 126349823
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-chloroanilino)acetamide
CID 126370489
N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
CID 126363332
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126270444
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-methoxybenzamide
CID 126376552
2-chloro-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-methylbenzamide
CID 126058165
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 126274682
2-(4-bromoanilino)-N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]acetamide
CID 126364183
2-(1,3-benzodioxol-5-ylamino)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide
CID 4232210
2-(4-chloroanilino)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]acetamide
CID 126367601
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-propoxybenzamide
CID 133169492

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide?
The IUPAC name of N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide (CID 126049956) is N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide.
What is the SMILES notation for N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide?
The canonical SMILES for N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide is CCOc1cc(/C=N\NC(=O)CNc2ccc(I)cc2)cc(I)c1OCc1ccccc1Cl.
What is the InChIKey of N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide?
The InChIKey is ROZMDNLLDOTDTR-DBFSUHOCSA-N. The full InChI is InChI=1S/C24H22ClI2N3O3/c1-2-32-22-12-16(11-21(27)24(22)33-15-17-5-3-4-6-20(17)25)13-29-30-23(31)14-28-19-9-7-18(26)8-10-19/h3-13,28H,2,14-15H2,1H3,(H,30,31)/b29-13-.
What are the key properties of N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide?
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide has a molecular weight of 689.72 g/mol, XLogP of 6.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-iodoanilino)acetamide is sourced from PubChem (CID 126049956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).