3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide

C14H9Br2ClN2O2 — CID 137361726

IUPAC3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(Cl)ccc1O)c1ccc(Br)c(Br)c1
InChIInChI=1S/C14H9Br2ClN2O2/c15-11-3-1-8(6-12(11)16)14(21)19-18-7-9-5-10(17)2-4-13(9)20/h1-7,20H,(H,19,21)/b18-7-
InChIKeyZGSSFXZRBGGPOB-WSVATBPTSA-N
MW432.50 g/mol
LogP4.33
Rot. Bonds3

About 3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide

3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 137361726) has the molecular formula C14H9Br2ClN2O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID137361726
Molecular FormulaC14H9Br2ClN2O2
Molecular Weight432.50 g/mol
Exact Mass429.87
IUPAC Name3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(Cl)ccc1O)c1ccc(Br)c(Br)c1
InChIInChI=1S/C14H9Br2ClN2O2/c15-11-3-1-8(6-12(11)16)14(21)19-18-7-9-5-10(17)2-4-13(9)20/h1-7,20H,(H,19,21)/b18-7-
InChIKeyZGSSFXZRBGGPOB-WSVATBPTSA-N
XLogP4.33
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.33
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-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136628097
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135688213
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577243
4-chloro-N-[(E)-[5-[[3-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-4-hydroxyphenyl]methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135505356
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 136718827
3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 135419973

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide (CID 137361726) is 3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1cc(Cl)ccc1O)c1ccc(Br)c(Br)c1.
What is the InChIKey of 3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is ZGSSFXZRBGGPOB-WSVATBPTSA-N. The full InChI is InChI=1S/C14H9Br2ClN2O2/c15-11-3-1-8(6-12(11)16)14(21)19-18-7-9-5-10(17)2-4-13(9)20/h1-7,20H,(H,19,21)/b18-7-.
What are the key properties of 3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide?
3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 432.50 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137361726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).