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

C14H10BrClN2O — CID 4148800

IUPAC2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H10BrClN2O/c15-12-7-3-2-6-11(12)14(19)18-17-9-10-5-1-4-8-13(10)16/h1-9H,(H,18,19)
InChIKeyANGPMGSAGXKEOQ-UHFFFAOYSA-N
MW337.60 g/mol
LogP3.87
Rot. Bonds3

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

2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide (PubChem CID 4148800) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is 2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
PubChem CID4148800
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC Name2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H10BrClN2O/c15-12-7-3-2-6-11(12)14(19)18-17-9-10-5-1-4-8-13(10)16/h1-9H,(H,18,19)
InChIKeyANGPMGSAGXKEOQ-UHFFFAOYSA-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-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 3322799
2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146902
N-[(Z)-(2-bromophenyl)methylideneamino]-3,5-dichloro-2-hydroxybenzamide
CID 7326637
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
2-bromo-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135926012
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide
CID 932581
2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 6899012
3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 5196692
N-[(Z)-(2-chlorophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523599

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide (CID 4148800) is 2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide is O=C(NN=Cc1ccccc1Cl)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide?
The InChIKey is ANGPMGSAGXKEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c15-12-7-3-2-6-11(12)14(19)18-17-9-10-5-1-4-8-13(10)16/h1-9H,(H,18,19).
What are the key properties of 2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide?
2-bromo-N-[(2-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-[(2-chlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 4148800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).