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

C24H21ClI2N2O2 — CID 99944614

IUPACN-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(C)c1
InChIInChI=1S/C24H21ClI2N2O2/c1-15-3-6-19(16(2)9-15)12-23(30)29-28-13-18-10-21(26)24(22(27)11-18)31-14-17-4-7-20(25)8-5-17/h3-11,13H,12,14H2,1-2H3,(H,29,30)/b28-13+
InChIKeyCYSJBPBHPFQVBE-XODNFHPESA-N
MW658.71 g/mol
LogP6.44
Rot. Bonds7

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

N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 99944614) has the molecular formula C24H21ClI2N2O2 and a molecular weight of 658.71 g/mol. Its IUPAC name is N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID99944614
Molecular FormulaC24H21ClI2N2O2
Molecular Weight658.71 g/mol
Exact Mass657.94
IUPAC NameN-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(C)c1
InChIInChI=1S/C24H21ClI2N2O2/c1-15-3-6-19(16(2)9-15)12-23(30)29-28-13-18-10-21(26)24(22(27)11-18)31-14-17-4-7-20(25)8-5-17/h3-11,13H,12,14H2,1-2H3,(H,29,30)/b28-13+
InChIKeyCYSJBPBHPFQVBE-XODNFHPESA-N
XLogP6.44
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.71
LogP ≤ 56.44
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-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 6181959
N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143716
2-(2,4-dimethylphenyl)-N-[(Z)-[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133145358
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126365218
N-[(E)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364041
N-[(Z)-[3-bromo-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944891
2-(4-chlorophenyl)-N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126148819
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126365368
N-[(E)-[3,5-diiodo-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126250456
N-[(E)-[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126210731
N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657931
2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19061261

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 99944614) is N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c(C)c1.
What is the InChIKey of N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is CYSJBPBHPFQVBE-XODNFHPESA-N. The full InChI is InChI=1S/C24H21ClI2N2O2/c1-15-3-6-19(16(2)9-15)12-23(30)29-28-13-18-10-21(26)24(22(27)11-18)31-14-17-4-7-20(25)8-5-17/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-(2,4-dimethylphenyl)acetamide?
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 658.71 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 99944614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).