N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C20H19N3O3 — CID 2353955

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)n1
InChIInChI=1S/C20H19N3O3/c1-13-11-14(2)23(22-13)17-6-3-15(4-7-17)20(24)21-16-5-8-18-19(12-16)26-10-9-25-18/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyIGBVPGOCCRFKOF-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.51
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 2353955) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID2353955
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)n1
InChIInChI=1S/C20H19N3O3/c1-13-11-14(2)23(22-13)17-6-3-15(4-7-17)20(24)21-16-5-8-18-19(12-16)26-10-9-25-18/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyIGBVPGOCCRFKOF-UHFFFAOYSA-N
XLogP3.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 2353955) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is IGBVPGOCCRFKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-11-14(2)23(22-13)17-6-3-15(4-7-17)20(24)21-16-5-8-18-19(12-16)26-10-9-25-18/h3-8,11-12H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 2353955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).