5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide

C15H13BrN2O2 — CID 867247

IUPAC5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H13BrN2O2/c1-10-2-4-11(5-3-10)9-17-18-15(20)13-8-12(16)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)
InChIKeyOAGRZZZGFBDNTI-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.23
Rot. Bonds3

About 5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide

5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide (PubChem CID 867247) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
PubChem CID867247
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H13BrN2O2/c1-10-2-4-11(5-3-10)9-17-18-15(20)13-8-12(16)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)
InChIKeyOAGRZZZGFBDNTI-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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

4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide
CID 67494163
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
methyl 2-[4-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 21370780
2-[4-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 21370779
5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide
CID 58811449
4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135511247
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 5335668
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide
CID 6062036
5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide
CID 126070863
5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
CID 126148387
5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide
CID 96892276
3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
CID 5331660

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide (CID 867247) is 5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide is Cc1ccc(C=NNC(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide?
The InChIKey is OAGRZZZGFBDNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-10-2-4-11(5-3-10)9-17-18-15(20)13-8-12(16)6-7-14(13)19/h2-9,19H,1H3,(H,18,20).
What are the key properties of 5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide?
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide has a molecular weight of 333.19 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 867247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).