N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide

C15H14N2O4 — CID 43548158

IUPACN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide
SMILESNc1cc2c(cc1NC(=O)c1ccc(O)cc1)OCCO2
InChIInChI=1S/C15H14N2O4/c16-11-7-13-14(21-6-5-20-13)8-12(11)17-15(19)9-1-3-10(18)4-2-9/h1-4,7-8,18H,5-6,16H2,(H,17,19)
InChIKeyXVQGKBAHINICFT-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.00
Rot. Bonds2

About N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide (PubChem CID 43548158) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide
PubChem CID43548158
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide
SMILESNc1cc2c(cc1NC(=O)c1ccc(O)cc1)OCCO2
InChIInChI=1S/C15H14N2O4/c16-11-7-13-14(21-6-5-20-13)8-12(11)17-15(19)9-1-3-10(18)4-2-9/h1-4,7-8,18H,5-6,16H2,(H,17,19)
InChIKeyXVQGKBAHINICFT-UHFFFAOYSA-N
XLogP2.00
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 43548190
N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
CID 43548296
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-5-bromothiophene-2-carboxamide
CID 43548159
N-(2-amino-5-chlorophenyl)-4-hydroxybenzamide
CID 18070438
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide
CID 43548135
N-(6-amino-1,3-benzodioxol-5-yl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride
CID 119618244
N-(6-amino-1,3-benzodioxol-5-yl)-4-(tert-butylsulfamoyl)benzamide
CID 119618127
N-(6-amino-1,3-benzodioxol-5-yl)-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119619117
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dibromothiophene-2-carboxamide
CID 80534473
1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-propan-2-ylurea
CID 43551276
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylsulfinylbenzamide
CID 51278846

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide?
The IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide (CID 43548158) is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide.
What is the SMILES notation for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide?
The canonical SMILES for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide is Nc1cc2c(cc1NC(=O)c1ccc(O)cc1)OCCO2.
What is the InChIKey of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide?
The InChIKey is XVQGKBAHINICFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c16-11-7-13-14(21-6-5-20-13)8-12(11)17-15(19)9-1-3-10(18)4-2-9/h1-4,7-8,18H,5-6,16H2,(H,17,19).
What are the key properties of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide?
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide has a molecular weight of 286.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide is sourced from PubChem (CID 43548158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).