N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C15H13NO3 — CID 870039

IUPACN-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H13NO3/c17-15(16-12-4-2-1-3-5-12)11-6-7-13-14(10-11)19-9-8-18-13/h1-7,10H,8-9H2,(H,16,17)
InChIKeyCMTQNBFLWOSGAE-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.71
Rot. Bonds2

About N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 870039) 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-6-carboxamide.

Molecular Properties

Compound NameN-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID870039
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC NameN-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H13NO3/c17-15(16-12-4-2-1-3-5-12)11-6-7-13-14(10-11)19-9-8-18-13/h1-7,10H,8-9H2,(H,16,17)
InChIKeyCMTQNBFLWOSGAE-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
VU0357121
CID 2296132
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
3,4,5-Trimethoxybenzanilide
CID 305103
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
N-(2-chlorophenyl)-3,4-dimethoxybenzamide
CID 791888
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
2,3-Dihydro-N-methyl-N-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]-1,4-benzodioxin-6-carboxamide
CID 8001903
N-(2-fluorophenyl)-3-methoxybenzamide
CID 532855

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 870039) is N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is CMTQNBFLWOSGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-15(16-12-4-2-1-3-5-12)11-6-7-13-14(10-11)19-9-8-18-13/h1-7,10H,8-9H2,(H,16,17).
What are the key properties of N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 2.71, 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-6-carboxamide is sourced from PubChem (CID 870039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).