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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Related Compounds

N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313
1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101967
1-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-N-cyclopropylpiperidine-1,4-dicarboxamide
CID 75404574
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 55465968
N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 72863358
2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride
CID 119275630
N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105995
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802162
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide
CID 79158051
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3-dimethylbutanamide
CID 39820085
N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide
CID 116653886

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).