N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide

C24H21ClI2N2O4 — CID 126365218

IUPACN-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1OC
InChIInChI=1S/C24H21ClI2N2O4/c1-31-21-8-5-16(11-22(21)32-2)12-23(30)29-28-13-17-9-19(26)24(20(27)10-17)33-14-15-3-6-18(25)7-4-15/h3-11,13H,12,14H2,1-2H3,(H,29,30)/b28-13+
InChIKeyDDKYUVSHRMZHOX-XODNFHPESA-N
MW690.70 g/mol
LogP5.84
Rot. Bonds9

About N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide

N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 126365218) has the molecular formula C24H21ClI2N2O4 and a molecular weight of 690.70 g/mol. Its IUPAC name is N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID126365218
Molecular FormulaC24H21ClI2N2O4
Molecular Weight690.70 g/mol
Exact Mass689.93
IUPAC NameN-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1OC
InChIInChI=1S/C24H21ClI2N2O4/c1-31-21-8-5-16(11-22(21)32-2)12-23(30)29-28-13-17-9-19(26)24(20(27)10-17)33-14-15-3-6-18(25)7-4-15/h3-11,13H,12,14H2,1-2H3,(H,29,30)/b28-13+
InChIKeyDDKYUVSHRMZHOX-XODNFHPESA-N
XLogP5.84
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.70
LogP ≤ 55.84
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-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 6181959
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126367833
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944614
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126365368
N-[(E)-[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126210731
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126197554
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126251707
1-[(E)-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-nitroguanidine
CID 135699769
2-(4-chlorophenyl)-N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126148819
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 124559177
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6322985
2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]acetamide
CID 126168423

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide (CID 126365218) is N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1OC.
What is the InChIKey of N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is DDKYUVSHRMZHOX-XODNFHPESA-N. The full InChI is InChI=1S/C24H21ClI2N2O4/c1-31-21-8-5-16(11-22(21)32-2)12-23(30)29-28-13-17-9-19(26)24(20(27)10-17)33-14-15-3-6-18(25)7-4-15/h3-11,13H,12,14H2,1-2H3,(H,29,30)/b28-13+.
What are the key properties of N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide?
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 690.70 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 126365218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).