5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide

C16H14Cl2N2O4 — CID 135784386

IUPAC5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)cc(Cl)c1O
InChIInChI=1S/C16H14Cl2N2O4/c1-2-24-14-6-9(5-12(18)15(14)22)8-19-20-16(23)11-7-10(17)3-4-13(11)21/h3-8,21-22H,2H2,1H3,(H,20,23)/b19-8+
InChIKeyZCZYWSRCGAQJHX-UFWORHAWSA-N
MW369.20 g/mol
LogP3.57
Rot. Bonds5

About 5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide

5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 135784386) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is 5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID135784386
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)cc(Cl)c1O
InChIInChI=1S/C16H14Cl2N2O4/c1-2-24-14-6-9(5-12(18)15(14)22)8-19-20-16(23)11-7-10(17)3-4-13(11)21/h3-8,21-22H,2H2,1H3,(H,20,23)/b19-8+
InChIKeyZCZYWSRCGAQJHX-UFWORHAWSA-N
XLogP3.57
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 136670435
2-bromo-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135554853
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 137156000
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135643375
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137085188
5-chloro-N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 1282391
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509511
4-tert-butyl-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135582484
2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 137131275
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135673817
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 137160364
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 135706718

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 135784386) is 5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide is CCOc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)cc(Cl)c1O.
What is the InChIKey of 5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is ZCZYWSRCGAQJHX-UFWORHAWSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c1-2-24-14-6-9(5-12(18)15(14)22)8-19-20-16(23)11-7-10(17)3-4-13(11)21/h3-8,21-22H,2H2,1H3,(H,20,23)/b19-8+.
What are the key properties of 5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 369.20 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 135784386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).