4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide

C14H9Cl3N2O2 — CID 5333194

IUPAC4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(Cl)cc1O
InChIInChI=1S/C14H9Cl3N2O2/c15-9-4-5-10(12(20)6-9)14(21)19-18-7-8-2-1-3-11(16)13(8)17/h1-7,20H,(H,19,21)/b18-7+
InChIKeyALPRRXUIKVFIIQ-CNHKJKLMSA-N
MW343.60 g/mol
LogP4.12
Rot. Bonds3

About 4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide

4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 5333194) has the molecular formula C14H9Cl3N2O2 and a molecular weight of 343.60 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID5333194
Molecular FormulaC14H9Cl3N2O2
Molecular Weight343.60 g/mol
Exact Mass341.97
IUPAC Name4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(Cl)cc1O
InChIInChI=1S/C14H9Cl3N2O2/c15-9-4-5-10(12(20)6-9)14(21)19-18-7-8-2-1-3-11(16)13(8)17/h1-7,20H,(H,19,21)/b18-7+
InChIKeyALPRRXUIKVFIIQ-CNHKJKLMSA-N
XLogP4.12
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5405746
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
CID 764265
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide
CID 137072981
2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 3322799
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 867441
N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide
CID 3336586
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 5070346

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide (CID 5333194) is 4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is ALPRRXUIKVFIIQ-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H9Cl3N2O2/c15-9-4-5-10(12(20)6-9)14(21)19-18-7-8-2-1-3-11(16)13(8)17/h1-7,20H,(H,19,21)/b18-7+.
What are the key properties of 4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide?
4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 343.60 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 5333194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).