N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C15H13NO3 — CID 2788384

IUPACN-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1COc2ccccc2O1
InChIInChI=1S/C15H13NO3/c17-15(16-11-6-2-1-3-7-11)14-10-18-12-8-4-5-9-13(12)19-14/h1-9,14H,10H2,(H,16,17)
InChIKeySRIRPBJEIRWEKI-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.47
Rot. Bonds2

About N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2788384) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2788384
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC NameN-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1COc2ccccc2O1
InChIInChI=1S/C15H13NO3/c17-15(16-11-6-2-1-3-7-11)14-10-18-12-8-4-5-9-13(12)19-14/h1-9,14H,10H2,(H,16,17)
InChIKeySRIRPBJEIRWEKI-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2788384) is N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ccccc1)C1COc2ccccc2O1.
What is the InChIKey of N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is SRIRPBJEIRWEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-15(16-11-6-2-1-3-7-11)14-10-18-12-8-4-5-9-13(12)19-14/h1-9,14H,10H2,(H,16,17).
What are the key properties of N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2788384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).