2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide

C22H17BrI2N2O2 — CID 19061261

IUPAC2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1
InChIInChI=1S/C22H17BrI2N2O2/c23-18-8-6-15(7-9-18)12-21(28)27-26-13-17-10-19(24)22(20(25)11-17)29-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,27,28)/b26-13-
InChIKeyWBCRPCDLRYDWJE-ZMFRSBBQSA-N
MW675.10 g/mol
LogP5.93
Rot. Bonds7

About 2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide

2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 19061261) has the molecular formula C22H17BrI2N2O2 and a molecular weight of 675.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID19061261
Molecular FormulaC22H17BrI2N2O2
Molecular Weight675.10 g/mol
Exact Mass673.86
IUPAC Name2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1
InChIInChI=1S/C22H17BrI2N2O2/c23-18-8-6-15(7-9-18)12-21(28)27-26-13-17-10-19(24)22(20(25)11-17)29-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,27,28)/b26-13-
InChIKeyWBCRPCDLRYDWJE-ZMFRSBBQSA-N
XLogP5.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.10
LogP ≤ 55.93
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide (CID 19061261) is 2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide is O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(I)c(OCc2ccccc2)c(I)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is WBCRPCDLRYDWJE-ZMFRSBBQSA-N. The full InChI is InChI=1S/C22H17BrI2N2O2/c23-18-8-6-15(7-9-18)12-21(28)27-26-13-17-10-19(24)22(20(25)11-17)29-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,27,28)/b26-13-.
What are the key properties of 2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 675.10 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19061261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).