4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide

C21H15BrCl2N2O2 — CID 3885983

IUPAC4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1c(Cl)cccc1Cl)c1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C21H15BrCl2N2O2/c22-16-4-1-3-14(11-16)13-28-17-9-7-15(8-10-17)21(27)26-25-12-18-19(23)5-2-6-20(18)24/h1-12H,13H2,(H,26,27)
InChIKeyIHDCZHPGZYPUGC-UHFFFAOYSA-N
MW478.17 g/mol
LogP6.10
Rot. Bonds6

About 4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide

4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide (PubChem CID 3885983) has the molecular formula C21H15BrCl2N2O2 and a molecular weight of 478.17 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
PubChem CID3885983
Molecular FormulaC21H15BrCl2N2O2
Molecular Weight478.17 g/mol
Exact Mass475.97
IUPAC Name4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1c(Cl)cccc1Cl)c1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C21H15BrCl2N2O2/c22-16-4-1-3-14(11-16)13-28-17-9-7-15(8-10-17)21(27)26-25-12-18-19(23)5-2-6-20(18)24/h1-12H,13H2,(H,26,27)
InChIKeyIHDCZHPGZYPUGC-UHFFFAOYSA-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

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
CID 6279107
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518234
4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135601126
4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3685682
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
4-[(3-bromophenyl)methoxy]-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135801516
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
3-bromo-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 41168201
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
4-[(4-bromophenyl)methoxy]-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124543069
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 1274166
N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246369

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide (CID 3885983) is 4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide is O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc(OCc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide?
The InChIKey is IHDCZHPGZYPUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrCl2N2O2/c22-16-4-1-3-14(11-16)13-28-17-9-7-15(8-10-17)21(27)26-25-12-18-19(23)5-2-6-20(18)24/h1-12H,13H2,(H,26,27).
What are the key properties of 4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide?
4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)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 4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 3885983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).