(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide

C12H13F3N2O2 — CID 129372263

IUPAC(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1COCCN1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-1-3-9(6-8)17-11(18)10-7-19-5-4-16-10/h1-3,6,10,16H,4-5,7H2,(H,17,18)/t10-/m0/s1
InChIKeyLCDIMFOCTHPFHE-JTQLQIEISA-N
MW274.24 g/mol
LogP1.63
Rot. Bonds2

About (3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide

(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide (PubChem CID 129372263) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is (3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
PubChem CID129372263
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1COCCN1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-1-3-9(6-8)17-11(18)10-7-19-5-4-16-10/h1-3,6,10,16H,4-5,7H2,(H,17,18)/t10-/m0/s1
InChIKeyLCDIMFOCTHPFHE-JTQLQIEISA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119775977
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119773679
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide
CID 119301878
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262127
N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide
CID 119789843
(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide (CID 129372263) is (3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1COCCN1.
What is the InChIKey of (3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is LCDIMFOCTHPFHE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-1-3-9(6-8)17-11(18)10-7-19-5-4-16-10/h1-3,6,10,16H,4-5,7H2,(H,17,18)/t10-/m0/s1.
What are the key properties of (3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide?
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 129372263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).