N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride

C12H13ClF2N2O4 — CID 119693674

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)OC(F)(F)O2)C1COCCN1
InChIInChI=1S/C12H12F2N2O4.ClH/c13-12(14)19-9-2-1-7(5-10(9)20-12)16-11(17)8-6-18-4-3-15-8;/h1-2,5,8,15H,3-4,6H2,(H,16,17);1H
InChIKeyIPMWJLWOKZFZGU-UHFFFAOYSA-N
MW322.70 g/mol
LogP1.36
Rot. Bonds2

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride

N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride (PubChem CID 119693674) has the molecular formula C12H13ClF2N2O4 and a molecular weight of 322.70 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride
PubChem CID119693674
Molecular FormulaC12H13ClF2N2O4
Molecular Weight322.70 g/mol
Exact Mass322.05
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)OC(F)(F)O2)C1COCCN1
InChIInChI=1S/C12H12F2N2O4.ClH/c13-12(14)19-9-2-1-7(5-10(9)20-12)16-11(17)8-6-18-4-3-15-8;/h1-2,5,8,15H,3-4,6H2,(H,16,17);1H
InChIKeyIPMWJLWOKZFZGU-UHFFFAOYSA-N
XLogP1.36
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(3,4-dihydro-2H-chromen-6-yl)morpholine-3-carboxamide;hydrochloride
CID 119767335
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide
CID 115377301
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide
CID 79049402
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride
CID 119764589
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119676727

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride (CID 119693674) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1)OC(F)(F)O2)C1COCCN1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is IPMWJLWOKZFZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O4.ClH/c13-12(14)19-9-2-1-7(5-10(9)20-12)16-11(17)8-6-18-4-3-15-8;/h1-2,5,8,15H,3-4,6H2,(H,16,17);1H.
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 322.70 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119693674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).