N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide

C16H14Cl2N2O3 — CID 137138457

IUPACN-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
SMILESCC(=NNC(=O)c1cccc(C)c1O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H14Cl2N2O3/c1-8-4-3-5-11(14(8)21)16(23)20-19-9(2)12-6-10(17)7-13(18)15(12)22/h3-7,21-22H,1-2H3,(H,20,23)
InChIKeyFWLSVGJONYGZHV-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.87
Rot. Bonds3

About N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide

N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide (PubChem CID 137138457) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
PubChem CID137138457
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
SMILESCC(=NNC(=O)c1cccc(C)c1O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H14Cl2N2O3/c1-8-4-3-5-11(14(8)21)16(23)20-19-9(2)12-6-10(17)7-13(18)15(12)22/h3-7,21-22H,1-2H3,(H,20,23)
InChIKeyFWLSVGJONYGZHV-UHFFFAOYSA-N
XLogP3.87
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

4-chloro-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 137031048
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 135676383
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 17337861
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 135679012
[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]thiourea
CID 2803900
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
CID 135842175
2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone
CID 172953941
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide
CID 8862909
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 137104459
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4258714

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide (CID 137138457) is N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide is CC(=NNC(=O)c1cccc(C)c1O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide?
The InChIKey is FWLSVGJONYGZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-8-4-3-5-11(14(8)21)16(23)20-19-9(2)12-6-10(17)7-13(18)15(12)22/h3-7,21-22H,1-2H3,(H,20,23).
What are the key properties of N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide?
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide has a molecular weight of 353.21 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 137138457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).