N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide

C13H15ClN2O4 — CID 47201238

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)N1CCOCC1
InChIInChI=1S/C13H15ClN2O4/c14-9-7-11-12(20-6-5-19-11)8-10(9)15-13(17)16-1-3-18-4-2-16/h7-8H,1-6H2,(H,15,17)
InChIKeyDWFFTHVNHAJGED-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.98
Rot. Bonds1

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide (PubChem CID 47201238) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide
PubChem CID47201238
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)N1CCOCC1
InChIInChI=1S/C13H15ClN2O4/c14-9-7-11-12(20-6-5-19-11)8-10(9)15-13(17)16-1-3-18-4-2-16/h7-8H,1-6H2,(H,15,17)
InChIKeyDWFFTHVNHAJGED-UHFFFAOYSA-N
XLogP1.98
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide (CID 47201238) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide is O=C(Nc1cc2c(cc1Cl)OCCO2)N1CCOCC1.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide?
The InChIKey is DWFFTHVNHAJGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c14-9-7-11-12(20-6-5-19-11)8-10(9)15-13(17)16-1-3-18-4-2-16/h7-8H,1-6H2,(H,15,17).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide is sourced from PubChem (CID 47201238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).