2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide

C22H18BrIN2O2 — CID 98050626

IUPAC2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C\c1cccc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C22H18BrIN2O2/c23-19-8-4-16(5-9-19)13-22(27)26-25-14-18-2-1-3-21(12-18)28-15-17-6-10-20(24)11-7-17/h1-12,14H,13,15H2,(H,26,27)/b25-14-
InChIKeyWFJJRFWLENKVAT-QFEZKATASA-N
MW549.21 g/mol
LogP5.33
Rot. Bonds7

About 2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide

2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide (PubChem CID 98050626) has the molecular formula C22H18BrIN2O2 and a molecular weight of 549.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide
PubChem CID98050626
Molecular FormulaC22H18BrIN2O2
Molecular Weight549.21 g/mol
Exact Mass547.96
IUPAC Name2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C\c1cccc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C22H18BrIN2O2/c23-19-8-4-16(5-9-19)13-22(27)26-25-14-18-2-1-3-21(12-18)28-15-17-6-10-20(24)11-7-17/h1-12,14H,13,15H2,(H,26,27)/b25-14-
InChIKeyWFJJRFWLENKVAT-QFEZKATASA-N
XLogP5.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.21
LogP ≤ 55.33
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

2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143842
N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 4128401
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110338187
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
methyl 4-[[3-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3955711
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 126375359
2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19061261
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126048433
4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3685682

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide (CID 98050626) is 2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide is O=C(Cc1ccc(Br)cc1)N/N=C\c1cccc(OCc2ccc(I)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide?
The InChIKey is WFJJRFWLENKVAT-QFEZKATASA-N. The full InChI is InChI=1S/C22H18BrIN2O2/c23-19-8-4-16(5-9-19)13-22(27)26-25-14-18-2-1-3-21(12-18)28-15-17-6-10-20(24)11-7-17/h1-12,14H,13,15H2,(H,26,27)/b25-14-.
What are the key properties of 2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide?
2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide has a molecular weight of 549.21 g/mol, XLogP of 5.33, 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-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 98050626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).