4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide

C14H11BrN2O3 — CID 135511247

IUPAC4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccc(Br)cc1O
InChIInChI=1S/C14H11BrN2O3/c15-10-3-6-12(13(19)7-10)14(20)17-16-8-9-1-4-11(18)5-2-9/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyVRLCKAOIKYYGKI-LZYBPNLTSA-N
MW335.16 g/mol
LogP2.62
Rot. Bonds3

About 4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide

4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135511247) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135511247
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccc(Br)cc1O
InChIInChI=1S/C14H11BrN2O3/c15-10-3-6-12(13(19)7-10)14(20)17-16-8-9-1-4-11(18)5-2-9/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyVRLCKAOIKYYGKI-LZYBPNLTSA-N
XLogP2.62
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
[4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 5437491
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 136843558
N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 764268
2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 869882
4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 722431
3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
CID 5331660
4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide
CID 67494163
4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632
N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 45054611
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (CID 135511247) is 4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(O)cc1)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is VRLCKAOIKYYGKI-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-10-3-6-12(13(19)7-10)14(20)17-16-8-9-1-4-11(18)5-2-9/h1-8,18-19H,(H,17,20)/b16-8+.
What are the key properties of 4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 335.16 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135511247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).