4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide

C14H9Br2ClN2O3 — CID 135579320

IUPAC4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+
InChIKeyZDMUFSJTENTNDA-NGYBGAFCSA-N
MW448.50 g/mol
LogP4.04
Rot. Bonds3

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

4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide (PubChem CID 135579320) has the molecular formula C14H9Br2ClN2O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
PubChem CID135579320
Molecular FormulaC14H9Br2ClN2O3
Molecular Weight448.50 g/mol
Exact Mass445.87
IUPAC Name4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+
InChIKeyZDMUFSJTENTNDA-NGYBGAFCSA-N
XLogP4.04
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.04
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

N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
CID 135579518
3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579623
4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867733
4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867737
N'-(5-bromo-2-hydroxybenzylidene)-2-chlorobenzohydrazide
CID 135521406
4-Chloro-N'-(2,4-dihydroxybenzylidene)benzohydrazide
CID 135403186
N'-(5-bromo-2-hydroxybenzylidene)-4-chlorobenzohydrazide
CID 135604309
Carbohydrazide derivative, 3h
CID 135579261
Carbohydrazide derivative, 5c
CID 135867740
Carbohydrazide derivative, 5e
CID 135867742
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-[2-(trifluoromethyl)phenyl]benzamide
CID 136241907
4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135569113

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide (CID 135579320) is 4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is ZDMUFSJTENTNDA-NGYBGAFCSA-N. The full InChI is InChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+.
What are the key properties of 4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 448.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135579320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).