2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide

C23H16Cl2I2N2O4 — CID 126152983

IUPAC2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1
InChIInChI=1S/C23H16Cl2I2N2O4/c24-16-3-2-15(17(25)9-16)11-31-23-18(26)5-14(6-19(23)27)10-28-29-22(30)8-13-1-4-20-21(7-13)33-12-32-20/h1-7,9-10H,8,11-12H2,(H,29,30)/b28-10-
InChIKeySLBAOEBSNXJWJW-LGUSAWBASA-N
MW709.10 g/mol
LogP6.20
Rot. Bonds7

About 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide

2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide (PubChem CID 126152983) has the molecular formula C23H16Cl2I2N2O4 and a molecular weight of 709.10 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide
PubChem CID126152983
Molecular FormulaC23H16Cl2I2N2O4
Molecular Weight709.10 g/mol
Exact Mass707.86
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1
InChIInChI=1S/C23H16Cl2I2N2O4/c24-16-3-2-15(17(25)9-16)11-31-23-18(26)5-14(6-19(23)27)10-28-29-22(30)8-13-1-4-20-21(7-13)33-12-32-20/h1-7,9-10H,8,11-12H2,(H,29,30)/b28-10-
InChIKeySLBAOEBSNXJWJW-LGUSAWBASA-N
XLogP6.20
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.10
LogP ≤ 56.20
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-(1,3-benzodioxol-5-ylamino)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]acetamide
CID 4232210
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126371372
2-(1,3-benzodioxol-5-yl)-N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]acetamide
CID 126152150
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126251707
2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]acetamide
CID 126168423
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]furan-2-carboxamide
CID 21380054
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 6181959
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126367545
2-(1,3-benzodioxol-5-yl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126273733
2-(4-chlorophenyl)-N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126148819
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 126242543
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide
CID 99665225

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide (CID 126152983) is 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide is O=C(Cc1ccc2c(c1)OCO2)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide?
The InChIKey is SLBAOEBSNXJWJW-LGUSAWBASA-N. The full InChI is InChI=1S/C23H16Cl2I2N2O4/c24-16-3-2-15(17(25)9-16)11-31-23-18(26)5-14(6-19(23)27)10-28-29-22(30)8-13-1-4-20-21(7-13)33-12-32-20/h1-7,9-10H,8,11-12H2,(H,29,30)/b28-10-.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide has a molecular weight of 709.10 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide is sourced from PubChem (CID 126152983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).