5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide

C14H10BrClN2O3 — CID 135455727

IUPAC5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(O)cc1O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10BrClN2O3/c15-9-2-4-12(16)11(5-9)14(21)18-17-7-8-1-3-10(19)6-13(8)20/h1-7,19-20H,(H,18,21)
InChIKeyZGKDBPCMJSIEJO-UHFFFAOYSA-N
MW369.60 g/mol
LogP3.28
Rot. Bonds3

About 5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide

5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide (PubChem CID 135455727) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
PubChem CID135455727
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Name5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(O)cc1O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10BrClN2O3/c15-9-2-4-12(16)11(5-9)14(21)18-17-7-8-1-3-10(19)6-13(8)20/h1-7,19-20H,(H,18,21)
InChIKeyZGKDBPCMJSIEJO-UHFFFAOYSA-N
XLogP3.28
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136661445
2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136782230
5-bromo-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 136765272
3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 137362064
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 2246619
2-chloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136890963
N-[(E)-(2-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135883082
N-[(E)-(2-chloro-4-hydroxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 139360033
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135529636

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide (CID 135455727) is 5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide is O=C(NN=Cc1ccc(O)cc1O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is ZGKDBPCMJSIEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c15-9-2-4-12(16)11(5-9)14(21)18-17-7-8-1-3-10(19)6-13(8)20/h1-7,19-20H,(H,18,21).
What are the key properties of 5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide?
5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 369.60 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135455727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).