N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C15H13NO4 — CID 4075154

IUPACN-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)C1COc2ccccc2O1
InChIInChI=1S/C15H13NO4/c17-11-5-3-4-10(8-11)16-15(18)14-9-19-12-6-1-2-7-13(12)20-14/h1-8,14,17H,9H2,(H,16,18)
InChIKeyJNFSCPUNJHIIFC-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.17
Rot. Bonds2

About N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 4075154) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID4075154
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC NameN-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)C1COc2ccccc2O1
InChIInChI=1S/C15H13NO4/c17-11-5-3-4-10(8-11)16-15(18)14-9-19-12-6-1-2-7-13(12)20-14/h1-8,14,17H,9H2,(H,16,18)
InChIKeyJNFSCPUNJHIIFC-UHFFFAOYSA-N
XLogP2.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788362
N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42949307
(3S)-N-[3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7760069
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56508469
N-(2-fluoro-4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 64788239
N-(2-chloro-4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 64787354
N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2957823
(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491
(3R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 28635256
(3R)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 39835415
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5017657
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18160948

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 4075154) is N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1cccc(O)c1)C1COc2ccccc2O1.
What is the InChIKey of N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is JNFSCPUNJHIIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-11-5-3-4-10(8-11)16-15(18)14-9-19-12-6-1-2-7-13(12)20-14/h1-8,14,17H,9H2,(H,16,18).
What are the key properties of N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 271.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 4075154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).