2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C17H15N3O3 — CID 2389170

IUPAC2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESN#Cc1cccc(NCC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H15N3O3/c18-10-12-2-1-3-13(8-12)19-11-17(21)20-14-4-5-15-16(9-14)23-7-6-22-15/h1-5,8-9,19H,6-7,11H2,(H,20,21)
InChIKeyRFUCHJZWTJWMHT-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.38
Rot. Bonds4

About 2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 2389170) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID2389170
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESN#Cc1cccc(NCC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H15N3O3/c18-10-12-2-1-3-13(8-12)19-11-17(21)20-14-4-5-15-16(9-14)23-7-6-22-15/h1-5,8-9,19H,6-7,11H2,(H,20,21)
InChIKeyRFUCHJZWTJWMHT-UHFFFAOYSA-N
XLogP2.38
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 2389170) is 2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is N#Cc1cccc(NCC(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is RFUCHJZWTJWMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c18-10-12-2-1-3-13(8-12)19-11-17(21)20-14-4-5-15-16(9-14)23-7-6-22-15/h1-5,8-9,19H,6-7,11H2,(H,20,21).
What are the key properties of 2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 2389170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).