2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide

C21H15BrCl2N2O2 — CID 17245231

IUPAC2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1Br
InChIInChI=1S/C21H15BrCl2N2O2/c22-18-7-3-2-6-17(18)21(27)26-25-12-14-5-1-4-8-20(14)28-13-15-9-10-16(23)11-19(15)24/h1-12H,13H2,(H,26,27)/b25-12+
InChIKeyUGQMIMUCEWVIQS-BRJLIKDPSA-N
MW478.17 g/mol
LogP6.10
Rot. Bonds6

About 2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide

2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 17245231) has the molecular formula C21H15BrCl2N2O2 and a molecular weight of 478.17 g/mol. Its IUPAC name is 2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID17245231
Molecular FormulaC21H15BrCl2N2O2
Molecular Weight478.17 g/mol
Exact Mass475.97
IUPAC Name2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1Br
InChIInChI=1S/C21H15BrCl2N2O2/c22-18-7-3-2-6-17(18)21(27)26-25-12-14-5-1-4-8-20(14)28-13-15-9-10-16(23)11-19(15)24/h1-12H,13H2,(H,26,27)/b25-12+
InChIKeyUGQMIMUCEWVIQS-BRJLIKDPSA-N
XLogP6.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.17
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146902
2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3450201
2-bromo-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 17245276
2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379840
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657611
2-bromo-N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 17245478
2-bromo-N-[(E)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245410
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 75210800
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 124541111
2-(4-bromoanilino)-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126349752
2-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 124602192
2-bromo-N-[(Z)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29147130

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 17245231) is 2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide is O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is UGQMIMUCEWVIQS-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H15BrCl2N2O2/c22-18-7-3-2-6-17(18)21(27)26-25-12-14-5-1-4-8-20(14)28-13-15-9-10-16(23)11-19(15)24/h1-12H,13H2,(H,26,27)/b25-12+.
What are the key properties of 2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 478.17 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 17245231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).