N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide

C16H15ClN2O3 — CID 126055864

IUPACN-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O
InChIInChI=1S/C16H15ClN2O3/c1-2-22-15-8-7-12(17)9-11(15)10-18-19-16(21)13-5-3-4-6-14(13)20/h3-10,20H,2H2,1H3,(H,19,21)/b18-10-
InChIKeyWXHQHUFUIBOQMC-ZDLGFXPLSA-N
MW318.76 g/mol
LogP3.21
Rot. Bonds5

About N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide

N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 126055864) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID126055864
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O
InChIInChI=1S/C16H15ClN2O3/c1-2-22-15-8-7-12(17)9-11(15)10-18-19-16(21)13-5-3-4-6-14(13)20/h3-10,20H,2H2,1H3,(H,19,21)/b18-10-
InChIKeyWXHQHUFUIBOQMC-ZDLGFXPLSA-N
XLogP3.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 126090672
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 126103010
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 126110168
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 139301919
2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide
CID 126382035
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509511
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 126055864) is N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide is CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O.
What is the InChIKey of N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is WXHQHUFUIBOQMC-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-2-22-15-8-7-12(17)9-11(15)10-18-19-16(21)13-5-3-4-6-14(13)20/h3-10,20H,2H2,1H3,(H,19,21)/b18-10-.
What are the key properties of N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 318.76 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 126055864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).