4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide

C21H16BrIN2O2 — CID 98677523

IUPAC4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(I)cc1)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H16BrIN2O2/c22-18-7-1-16(2-8-18)14-27-20-11-5-17(6-12-20)21(26)25-24-13-15-3-9-19(23)10-4-15/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyYOAYASJCUNUEDQ-CFRMEGHHSA-N
MW535.18 g/mol
LogP5.40
Rot. Bonds6

About 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide

4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide (PubChem CID 98677523) has the molecular formula C21H16BrIN2O2 and a molecular weight of 535.18 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide
PubChem CID98677523
Molecular FormulaC21H16BrIN2O2
Molecular Weight535.18 g/mol
Exact Mass533.94
IUPAC Name4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(I)cc1)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H16BrIN2O2/c22-18-7-1-16(2-8-18)14-27-20-11-5-17(6-12-20)21(26)25-24-13-15-3-9-19(23)10-4-15/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyYOAYASJCUNUEDQ-CFRMEGHHSA-N
XLogP5.40
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.18
LogP ≤ 55.40
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

4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136845072
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126048433
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 6079252
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 90643398
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
N-[(Z)-[4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 98080899

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide (CID 98677523) is 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(I)cc1)c1ccc(OCc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide?
The InChIKey is YOAYASJCUNUEDQ-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H16BrIN2O2/c22-18-7-1-16(2-8-18)14-27-20-11-5-17(6-12-20)21(26)25-24-13-15-3-9-19(23)10-4-15/h1-13H,14H2,(H,25,26)/b24-13-.
What are the key properties of 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide?
4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide has a molecular weight of 535.18 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 98677523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).