2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide

C14H11BrN2O2 — CID 2690759

IUPAC2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(O)c1)c1ccccc1Br
InChIInChI=1S/C14H11BrN2O2/c15-13-7-2-1-6-12(13)14(19)17-16-9-10-4-3-5-11(18)8-10/h1-9,18H,(H,17,19)
InChIKeyCIPLPXMJLGDFMU-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.92
Rot. Bonds3

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

2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 2690759) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide
PubChem CID2690759
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(O)c1)c1ccccc1Br
InChIInChI=1S/C14H11BrN2O2/c15-13-7-2-1-6-12(13)14(19)17-16-9-10-4-3-5-11(18)8-10/h1-9,18H,(H,17,19)
InChIKeyCIPLPXMJLGDFMU-UHFFFAOYSA-N
XLogP2.92
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.92
H-Bond Donors ≤ 52
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-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 6899012
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
[3-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 41002091
2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 7832175
5-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 1274624
2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3834787
4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide
CID 168908017
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-bromobenzamide
CID 3358206
2-bromo-N-[(Z)-[3-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29147164
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide (CID 2690759) is 2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide is O=C(NN=Cc1cccc(O)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is CIPLPXMJLGDFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-13-7-2-1-6-12(13)14(19)17-16-9-10-4-3-5-11(18)8-10/h1-9,18H,(H,17,19).
What are the key properties of 2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide?
2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 319.16 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 2690759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).