N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C11H9Cl2NO4 — CID 113434383

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)C1=COCCO1
InChIInChI=1S/C11H9Cl2NO4/c12-6-3-7(13)10(15)8(4-6)14-11(16)9-5-17-1-2-18-9/h3-5,15H,1-2H2,(H,14,16)
InChIKeyAYCSPULNPXHMPS-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.53
Rot. Bonds2

About N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 113434383) has the molecular formula C11H9Cl2NO4 and a molecular weight of 290.10 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID113434383
Molecular FormulaC11H9Cl2NO4
Molecular Weight290.10 g/mol
Exact Mass288.99
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)C1=COCCO1
InChIInChI=1S/C11H9Cl2NO4/c12-6-3-7(13)10(15)8(4-6)14-11(16)9-5-17-1-2-18-9/h3-5,15H,1-2H2,(H,14,16)
InChIKeyAYCSPULNPXHMPS-UHFFFAOYSA-N
XLogP2.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16552873
N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18139939
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16550996
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18081378
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid
CID 104739890
2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
CID 21431939
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 103891166
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103753527
N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 51072460

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 113434383) is N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1O)C1=COCCO1.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is AYCSPULNPXHMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO4/c12-6-3-7(13)10(15)8(4-6)14-11(16)9-5-17-1-2-18-9/h3-5,15H,1-2H2,(H,14,16).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 290.10 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 113434383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).