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

C13H16Cl2N2O4 — CID 119697727

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc2c(cc1Cl)OCCO2)C1COCCN1
InChIInChI=1S/C13H15ClN2O4.ClH/c14-8-5-11-12(20-4-3-19-11)6-9(8)16-13(17)10-7-18-2-1-15-10;/h5-6,10,15H,1-4,7H2,(H,16,17);1H
InChIKeyCQNXHACIDSPQNM-UHFFFAOYSA-N
MW335.19 g/mol
LogP1.46
Rot. Bonds2

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

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride (PubChem CID 119697727) has the molecular formula C13H16Cl2N2O4 and a molecular weight of 335.19 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride
PubChem CID119697727
Molecular FormulaC13H16Cl2N2O4
Molecular Weight335.19 g/mol
Exact Mass334.05
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc2c(cc1Cl)OCCO2)C1COCCN1
InChIInChI=1S/C13H15ClN2O4.ClH/c14-8-5-11-12(20-4-3-19-11)6-9(8)16-13(17)10-7-18-2-1-15-10;/h5-6,10,15H,1-4,7H2,(H,16,17);1H
InChIKeyCQNXHACIDSPQNM-UHFFFAOYSA-N
XLogP1.46
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119720719
(2R,3S)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylmorpholine-3-carboxamide
CID 120920403
3,5-dichloro-4-(morpholine-3-carbonylamino)benzoic acid
CID 82831092
N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide
CID 113266715
(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
CID 96998659
N-(4,5-dimethoxy-2-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119679081
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]morpholine-3-carboxamide
CID 119798531
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119881889
N-(2-fluoro-5-methoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119788904
N-(3,4-dihydro-2H-chromen-6-yl)morpholine-3-carboxamide;hydrochloride
CID 119767335
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)azepane-2-carboxamide
CID 64561845
N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119399897

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride (CID 119697727) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cc2c(cc1Cl)OCCO2)C1COCCN1.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is CQNXHACIDSPQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4.ClH/c14-8-5-11-12(20-4-3-19-11)6-9(8)16-13(17)10-7-18-2-1-15-10;/h5-6,10,15H,1-4,7H2,(H,16,17);1H.
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 335.19 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119697727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).