N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide

C22H19BrIN3O2 — CID 126048433

IUPACN-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
SMILESO=C(CNc1ccc(I)cc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C22H19BrIN3O2/c23-18-5-1-17(2-6-18)15-29-21-11-3-16(4-12-21)13-26-27-22(28)14-25-20-9-7-19(24)8-10-20/h1-13,25H,14-15H2,(H,27,28)/b26-13-
InChIKeyLWEBRDQWRCFNNI-ZMFRSBBQSA-N
MW564.22 g/mol
LogP5.19
Rot. Bonds8

About N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide

N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide (PubChem CID 126048433) has the molecular formula C22H19BrIN3O2 and a molecular weight of 564.22 g/mol. Its IUPAC name is N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
PubChem CID126048433
Molecular FormulaC22H19BrIN3O2
Molecular Weight564.22 g/mol
Exact Mass562.97
IUPAC NameN-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
SMILESO=C(CNc1ccc(I)cc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C22H19BrIN3O2/c23-18-5-1-17(2-6-18)15-29-21-11-3-16(4-12-21)13-26-27-22(28)14-25-20-9-7-19(24)8-10-20/h1-13,25H,14-15H2,(H,27,28)/b26-13-
InChIKeyLWEBRDQWRCFNNI-ZMFRSBBQSA-N
XLogP5.19
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.22
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromoanilino)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126367989
4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide
CID 98677523
2-(4-bromoanilino)-N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126361897
2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1243754
2-(4-bromoanilino)-N-[(Z)-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126370242
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
2-(4-chloroanilino)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126368921
2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide
CID 126380581
2-(4-bromoanilino)-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 126370173
2-(4-bromophenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 45054335
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 4561831
2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 98050626

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide?
The IUPAC name of N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide (CID 126048433) is N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide.
What is the SMILES notation for N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide?
The canonical SMILES for N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide is O=C(CNc1ccc(I)cc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide?
The InChIKey is LWEBRDQWRCFNNI-ZMFRSBBQSA-N. The full InChI is InChI=1S/C22H19BrIN3O2/c23-18-5-1-17(2-6-18)15-29-21-11-3-16(4-12-21)13-26-27-22(28)14-25-20-9-7-19(24)8-10-20/h1-13,25H,14-15H2,(H,27,28)/b26-13-.
What are the key properties of N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide?
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide has a molecular weight of 564.22 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide is sourced from PubChem (CID 126048433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).