N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide

C16H14Cl2N2O3 — CID 3611587

IUPACN-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(Cl)c(Cl)c(C=NNC(=O)c2ccccc2)c1O
InChIInChI=1S/C16H14Cl2N2O3/c1-2-23-13-8-12(17)14(18)11(15(13)21)9-19-20-16(22)10-6-4-3-5-7-10/h3-9,21H,2H2,1H3,(H,20,22)
InChIKeyGVRPCHSYGZWDPT-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.86
Rot. Bonds5

About N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide

N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 3611587) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
PubChem CID3611587
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(Cl)c(Cl)c(C=NNC(=O)c2ccccc2)c1O
InChIInChI=1S/C16H14Cl2N2O3/c1-2-23-13-8-12(17)14(18)11(15(13)21)9-19-20-16(22)10-6-4-3-5-7-10/h3-9,21H,2H2,1H3,(H,20,22)
InChIKeyGVRPCHSYGZWDPT-UHFFFAOYSA-N
XLogP3.86
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.86
H-Bond Donors ≤ 52
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

3-bromo-N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 135590040
2-bromo-N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 135926011
N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135641587
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135643375
3-chloro-N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 135613492
2-bromobenzohydrazide;2-bromo-N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide;bis(2,3-dichloro-5-ethoxy-6-hydroxybenzaldehyde);3-ethoxy-2-hydroxybenzaldehyde
CID 172955945
N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 135629464
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]acetamide
CID 136734200
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide
CID 135688471
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135673817

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide (CID 3611587) is N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide is CCOc1cc(Cl)c(Cl)c(C=NNC(=O)c2ccccc2)c1O.
What is the InChIKey of N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is GVRPCHSYGZWDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-2-23-13-8-12(17)14(18)11(15(13)21)9-19-20-16(22)10-6-4-3-5-7-10/h3-9,21H,2H2,1H3,(H,20,22).
What are the key properties of N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide?
N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 353.21 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3611587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).