4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide

C15H12BrClN2O2 — CID 137139850

IUPAC4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Br)cc1)c1cccc(Cl)c1O
InChIInChI=1S/C15H12BrClN2O2/c1-9(12-3-2-4-13(17)14(12)20)18-19-15(21)10-5-7-11(16)8-6-10/h2-8,20H,1H3,(H,19,21)
InChIKeyTYBGHXBUIJYXJY-UHFFFAOYSA-N
MW367.63 g/mol
LogP3.96
Rot. Bonds3

About 4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide

4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 137139850) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID137139850
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC Name4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Br)cc1)c1cccc(Cl)c1O
InChIInChI=1S/C15H12BrClN2O2/c1-9(12-3-2-4-13(17)14(12)20)18-19-15(21)10-5-7-11(16)8-6-10/h2-8,20H,1H3,(H,19,21)
InChIKeyTYBGHXBUIJYXJY-UHFFFAOYSA-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': '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

N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 137121413
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332759
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
2-chloro-N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137028983
4-chloro-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 135676383
N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137118645
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-[(2Z)-2-[1-(2-chlorophenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
CID 75409654
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137125205

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide (CID 137139850) is 4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(Br)cc1)c1cccc(Cl)c1O.
What is the InChIKey of 4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is TYBGHXBUIJYXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c1-9(12-3-2-4-13(17)14(12)20)18-19-15(21)10-5-7-11(16)8-6-10/h2-8,20H,1H3,(H,19,21).
What are the key properties of 4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide?
4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide 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 4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 137139850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).