2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide

C22H18BrI2N3O2 — CID 126380581

IUPAC2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1
InChIInChI=1S/C22H18BrI2N3O2/c23-17-8-6-15(7-9-17)14-30-22-19(24)10-16(11-20(22)25)12-27-28-21(29)13-26-18-4-2-1-3-5-18/h1-12,26H,13-14H2,(H,28,29)/b27-12-
InChIKeyRTKNJJYYTQJYPE-PPDIBHTLSA-N
MW690.12 g/mol
LogP5.80
Rot. Bonds8

About 2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide

2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide (PubChem CID 126380581) has the molecular formula C22H18BrI2N3O2 and a molecular weight of 690.12 g/mol. Its IUPAC name is 2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide
PubChem CID126380581
Molecular FormulaC22H18BrI2N3O2
Molecular Weight690.12 g/mol
Exact Mass688.87
IUPAC Name2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1
InChIInChI=1S/C22H18BrI2N3O2/c23-17-8-6-15(7-9-17)14-30-22-19(24)10-16(11-20(22)25)12-27-28-21(29)13-26-18-4-2-1-3-5-18/h1-12,26H,13-14H2,(H,28,29)/b27-12-
InChIKeyRTKNJJYYTQJYPE-PPDIBHTLSA-N
XLogP5.80
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.12
LogP ≤ 55.80
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 2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]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)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126362656
2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19061261
N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 126348826
2-(4-bromoanilino)-N-[(Z)-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126370242
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]benzamide
CID 126168030
2-(4-bromoanilino)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126367989
(2S)-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126147597
2-(4-bromoanilino)-N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126361542
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126048433
2-(4-bromoanilino)-N-[(Z)-(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]acetamide
CID 126368878
2-(4-bromophenyl)-N-[(Z)-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19061266
2-(4-bromoanilino)-N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126361897

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide (CID 126380581) is 2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide is O=C(CNc1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1.
What is the InChIKey of 2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide?
The InChIKey is RTKNJJYYTQJYPE-PPDIBHTLSA-N. The full InChI is InChI=1S/C22H18BrI2N3O2/c23-17-8-6-15(7-9-17)14-30-22-19(24)10-16(11-20(22)25)12-27-28-21(29)13-26-18-4-2-1-3-5-18/h1-12,26H,13-14H2,(H,28,29)/b27-12-.
What are the key properties of 2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide?
2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide has a molecular weight of 690.12 g/mol, XLogP of 5.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide is sourced from PubChem (CID 126380581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).