N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride

C12H14ClF3N2O3 — CID 119703130

IUPACN-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(OC(F)(F)F)c1)C1COCCN1
InChIInChI=1S/C12H13F3N2O3.ClH/c13-12(14,15)20-9-3-1-2-8(6-9)17-11(18)10-7-19-5-4-16-10;/h1-3,6,10,16H,4-5,7H2,(H,17,18);1H
InChIKeyACSKCQXLUQRVGB-UHFFFAOYSA-N
MW326.70 g/mol
LogP1.93
Rot. Bonds3

About N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride

N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119703130) has the molecular formula C12H14ClF3N2O3 and a molecular weight of 326.70 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119703130
Molecular FormulaC12H14ClF3N2O3
Molecular Weight326.70 g/mol
Exact Mass326.06
IUPAC NameN-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(OC(F)(F)F)c1)C1COCCN1
InChIInChI=1S/C12H13F3N2O3.ClH/c13-12(14,15)20-9-3-1-2-8(6-9)17-11(18)10-7-19-5-4-16-10;/h1-3,6,10,16H,4-5,7H2,(H,17,18);1H
InChIKeyACSKCQXLUQRVGB-UHFFFAOYSA-N
XLogP1.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.70
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120921232
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 114422692
N-(3-pyridin-2-yloxyphenyl)morpholine-3-carboxamide
CID 119884828
N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119775977
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119713835
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
N-(3-pyrazin-2-yloxyphenyl)morpholine-3-carboxamide
CID 119720300

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride (CID 119703130) is N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(OC(F)(F)F)c1)C1COCCN1.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is ACSKCQXLUQRVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3.ClH/c13-12(14,15)20-9-3-1-2-8(6-9)17-11(18)10-7-19-5-4-16-10;/h1-3,6,10,16H,4-5,7H2,(H,17,18);1H.
What are the key properties of N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 326.70 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119703130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).