5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide

C15H12BrClN2O2 — CID 6183167

IUPAC5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
SMILESC/C(=N/NC(=O)c1cc(Br)ccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClN2O2/c1-9(10-2-5-12(17)6-3-10)18-19-15(21)13-8-11(16)4-7-14(13)20/h2-8,20H,1H3,(H,19,21)/b18-9-
InChIKeyKMGLJKVALDXYDZ-NVMNQCDNSA-N
MW367.63 g/mol
LogP3.96
Rot. Bonds3

About 5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide

5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide (PubChem CID 6183167) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
PubChem CID6183167
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC Name5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
SMILESC/C(=N/NC(=O)c1cc(Br)ccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClN2O2/c1-9(10-2-5-12(17)6-3-10)18-19-15(21)13-8-11(16)4-7-14(13)20/h2-8,20H,1H3,(H,19,21)/b18-9-
InChIKeyKMGLJKVALDXYDZ-NVMNQCDNSA-N
XLogP3.96
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 53.96
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

5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide
CID 5340622
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
4-amino-N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135622325
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 3698844
5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5498486
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide
CID 3465432
5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107729682
4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 137156329

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide (CID 6183167) is 5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide is C/C(=N/NC(=O)c1cc(Br)ccc1O)c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide?
The InChIKey is KMGLJKVALDXYDZ-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c1-9(10-2-5-12(17)6-3-10)18-19-15(21)13-8-11(16)4-7-14(13)20/h2-8,20H,1H3,(H,19,21)/b18-9-.
What are the key properties of 5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide has a molecular weight of 367.63 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 6183167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).