2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide

C14H9BrCl2N2O — CID 3322799

IUPAC2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(Cl)c1Cl)c1ccccc1Br
InChIInChI=1S/C14H9BrCl2N2O/c15-11-6-2-1-5-10(11)14(20)19-18-8-9-4-3-7-12(16)13(9)17/h1-8H,(H,19,20)
InChIKeyFOPHHCKDZURRMN-UHFFFAOYSA-N
MW372.05 g/mol
LogP4.52
Rot. Bonds3

About 2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide

2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide (PubChem CID 3322799) has the molecular formula C14H9BrCl2N2O and a molecular weight of 372.05 g/mol. Its IUPAC name is 2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
PubChem CID3322799
Molecular FormulaC14H9BrCl2N2O
Molecular Weight372.05 g/mol
Exact Mass369.93
IUPAC Name2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(Cl)c1Cl)c1ccccc1Br
InChIInChI=1S/C14H9BrCl2N2O/c15-11-6-2-1-5-10(11)14(20)19-18-8-9-4-3-7-12(16)13(9)17/h1-8H,(H,19,20)
InChIKeyFOPHHCKDZURRMN-UHFFFAOYSA-N
XLogP4.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.05
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066
2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146902
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5333194
2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 6899012
N-[(Z)-(2-bromophenyl)methylideneamino]-3,5-dichloro-2-hydroxybenzamide
CID 7326637
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136749231
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide (CID 3322799) is 2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide is O=C(NN=Cc1cccc(Cl)c1Cl)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide?
The InChIKey is FOPHHCKDZURRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2N2O/c15-11-6-2-1-5-10(11)14(20)19-18-8-9-4-3-7-12(16)13(9)17/h1-8H,(H,19,20).
What are the key properties of 2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide?
2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide has a molecular weight of 372.05 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 3322799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).