N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide

C11H12ClNO4 — CID 64788498

IUPACN-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)C1COCCO1
InChIInChI=1S/C11H12ClNO4/c12-8-5-7(1-2-9(8)14)13-11(15)10-6-16-3-4-17-10/h1-2,5,10,14H,3-4,6H2,(H,13,15)
InChIKeyQFSSQEBAVTTYKS-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.40
Rot. Bonds2

About N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide

N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide (PubChem CID 64788498) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide
PubChem CID64788498
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)C1COCCO1
InChIInChI=1S/C11H12ClNO4/c12-8-5-7(1-2-9(8)14)13-11(15)10-6-16-3-4-17-10/h1-2,5,10,14H,3-4,6H2,(H,13,15)
InChIKeyQFSSQEBAVTTYKS-UHFFFAOYSA-N
XLogP1.40
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
N-(3-amino-4-methylphenyl)-1,4-dioxane-2-carboxamide
CID 55110602
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1,4-dioxane-2-carboxamide
CID 49169137
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide
CID 47028925
N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
CID 62805272
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,4-dioxane-2-carboxamide
CID 63901328
N-(3-ethynylphenyl)-1,4-dioxane-2-carboxamide
CID 47176741
(E)-3-[5-(1,4-dioxane-2-carbonylamino)-2-fluorophenyl]prop-2-enoic acid
CID 104781366
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide
CID 76949528
(2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide
CID 94130346
3-chloro-4-(1,4-dioxane-2-carbonylamino)benzenesulfonyl chloride
CID 62799378

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide (CID 64788498) is N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide is O=C(Nc1ccc(O)c(Cl)c1)C1COCCO1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide?
The InChIKey is QFSSQEBAVTTYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c12-8-5-7(1-2-9(8)14)13-11(15)10-6-16-3-4-17-10/h1-2,5,10,14H,3-4,6H2,(H,13,15).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide?
N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide has a molecular weight of 257.67 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 64788498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).