4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide

C15H13BrN2O2 — CID 135643111

IUPAC4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(Br)cc1)c1ccccc1O
InChIInChI=1S/C15H13BrN2O2/c1-10(13-4-2-3-5-14(13)19)17-18-15(20)11-6-8-12(16)9-7-11/h2-9,19H,1H3,(H,18,20)/b17-10+
InChIKeyNGGXIZNEXMJVTO-LICLKQGHSA-N
MW333.19 g/mol
LogP3.31
Rot. Bonds3

About 4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide

4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 135643111) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID135643111
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(Br)cc1)c1ccccc1O
InChIInChI=1S/C15H13BrN2O2/c1-10(13-4-2-3-5-14(13)19)17-18-15(20)11-6-8-12(16)9-7-11/h2-9,19H,1H3,(H,18,20)/b17-10+
InChIKeyNGGXIZNEXMJVTO-LICLKQGHSA-N
XLogP3.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137139850
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
4-amino-N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135622325
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 4925144
2-N,5-N-bis[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-2,5-dicarboxamide
CID 135699182
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide (CID 135643111) is 4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccccc1O.
What is the InChIKey of 4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is NGGXIZNEXMJVTO-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-10(13-4-2-3-5-14(13)19)17-18-15(20)11-6-8-12(16)9-7-11/h2-9,19H,1H3,(H,18,20)/b17-10+.
What are the key properties of 4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 333.19 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 135643111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).