2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C17H17ClN2O3 — CID 5021882

IUPAC2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CNCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17ClN2O3/c18-13-3-1-12(2-4-13)10-19-11-17(21)20-14-5-6-15-16(9-14)23-8-7-22-15/h1-6,9,19H,7-8,10-11H2,(H,20,21)
InChIKeyLIIYDSLVNFOSHE-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.84
Rot. Bonds5

About 2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 5021882) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID5021882
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CNCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17ClN2O3/c18-13-3-1-12(2-4-13)10-19-11-17(21)20-14-5-6-15-16(9-14)23-8-7-22-15/h1-6,9,19H,7-8,10-11H2,(H,20,21)
InChIKeyLIIYDSLVNFOSHE-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 5021882) is 2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(CNCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is LIIYDSLVNFOSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-13-3-1-12(2-4-13)10-19-11-17(21)20-14-5-6-15-16(9-14)23-8-7-22-15/h1-6,9,19H,7-8,10-11H2,(H,20,21).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 332.79 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 5021882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).