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

C16H14N2O4 — CID 2787356

IUPACN-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1
InChIInChI=1S/C16H14N2O4/c17-15(19)10-5-7-11(8-6-10)18-16(20)14-9-21-12-3-1-2-4-13(12)22-14/h1-8,14H,9H2,(H2,17,19)(H,18,20)
InChIKeyOVIYEQGGLIQEME-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.56
Rot. Bonds3

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

N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2787356) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2787356
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC NameN-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1
InChIInChI=1S/C16H14N2O4/c17-15(19)10-5-7-11(8-6-10)18-16(20)14-9-21-12-3-1-2-4-13(12)22-14/h1-8,14H,9H2,(H2,17,19)(H,18,20)
InChIKeyOVIYEQGGLIQEME-UHFFFAOYSA-N
XLogP1.56
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788365
2,3-Dihydro-N-(2-methylphenyl)-1,4-benzodioxin-2-carboxamide
CID 2788358
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788362
N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788363
N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788379
(2R)-N-[4-(benzoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019881
N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 730782
2-phenoxy-N-[4-(pyrrolidinylcarbonyl)phenyl]acetamide
CID 1246899
[2-(2-Fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2355174
N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 2524725
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide
CID 2542196
[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-methylbenzoate
CID 2562796

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2787356) is N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is NC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is OVIYEQGGLIQEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c17-15(19)10-5-7-11(8-6-10)18-16(20)14-9-21-12-3-1-2-4-13(12)22-14/h1-8,14H,9H2,(H2,17,19)(H,18,20).
What are the key properties of N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2787356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).