2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide

C14H10BrClN2O — CID 6899012

IUPAC2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C14H10BrClN2O/c15-13-7-2-1-6-12(13)14(19)18-17-9-10-4-3-5-11(16)8-10/h1-9H,(H,18,19)/b17-9+
InChIKeyZOEDQJOFLWJQDJ-RQZCQDPDSA-N
MW337.60 g/mol
LogP3.87
Rot. Bonds3

About 2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide

2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide (PubChem CID 6899012) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is 2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
PubChem CID6899012
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC Name2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C14H10BrClN2O/c15-13-7-2-1-6-12(13)14(19)18-17-9-10-4-3-5-11(16)8-10/h1-9H,(H,18,19)/b17-9+
InChIKeyZOEDQJOFLWJQDJ-RQZCQDPDSA-N
XLogP3.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 53.87
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-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide
CID 2690759
2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 7832175
2-bromo-N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245419
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
[3-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 41002091
2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 71952071
2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6123495
2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 3322799
N-[(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 870863

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide (CID 6899012) is 2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide is O=C(N/N=C/c1cccc(Cl)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide?
The InChIKey is ZOEDQJOFLWJQDJ-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c15-13-7-2-1-6-12(13)14(19)18-17-9-10-4-3-5-11(16)8-10/h1-9H,(H,18,19)/b17-9+.
What are the key properties of 2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide?
2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide has a molecular weight of 337.60 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6899012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).