2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide

C15H11Cl3N2O3 — CID 137131275

IUPAC2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1O
InChIInChI=1S/C15H11Cl3N2O3/c1-23-13-5-8(4-12(18)14(13)21)7-19-20-15(22)10-3-2-9(16)6-11(10)17/h2-7,21H,1H3,(H,20,22)/b19-7-
InChIKeyZSJANXYFUCBVBW-GXHLCREISA-N
MW373.62 g/mol
LogP4.12
Rot. Bonds4

About 2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide

2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide (PubChem CID 137131275) has the molecular formula C15H11Cl3N2O3 and a molecular weight of 373.62 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
PubChem CID137131275
Molecular FormulaC15H11Cl3N2O3
Molecular Weight373.62 g/mol
Exact Mass371.98
IUPAC Name2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1O
InChIInChI=1S/C15H11Cl3N2O3/c1-23-13-5-8(4-12(18)14(13)21)7-19-20-15(22)10-3-2-9(16)6-11(10)17/h2-7,21H,1H3,(H,20,22)/b19-7-
InChIKeyZSJANXYFUCBVBW-GXHLCREISA-N
XLogP4.12
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.62
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 136661481
5-chloro-N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137150800
[4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 4507669
4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 899702
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-chloro-4-methylbenzamide
CID 135579559
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135609327
5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135784386
2-chloro-N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 137170826
methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 3281330

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide (CID 137131275) is 2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is ZSJANXYFUCBVBW-GXHLCREISA-N. The full InChI is InChI=1S/C15H11Cl3N2O3/c1-23-13-5-8(4-12(18)14(13)21)7-19-20-15(22)10-3-2-9(16)6-11(10)17/h2-7,21H,1H3,(H,20,22)/b19-7-.
What are the key properties of 2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 373.62 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137131275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).