N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide

C13H15F3N2O2 — CID 119709153

IUPACN-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
SMILESCc1c(NC(=O)C2COCCN2)cccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-8-9(13(14,15)16)3-2-4-10(8)18-12(19)11-7-20-6-5-17-11/h2-4,11,17H,5-7H2,1H3,(H,18,19)
InChIKeyFJIOFZBYZKXWKA-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.94
Rot. Bonds2

About N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide

N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide (PubChem CID 119709153) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
PubChem CID119709153
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
SMILESCc1c(NC(=O)C2COCCN2)cccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-8-9(13(14,15)16)3-2-4-10(8)18-12(19)11-7-20-6-5-17-11/h2-4,11,17H,5-7H2,1H3,(H,18,19)
InChIKeyFJIOFZBYZKXWKA-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119399897
(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
CID 96998659
(3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide
CID 124681532
N-(2-methyl-3-pyridinyl)morpholine-3-carboxamide
CID 79043286
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-(4-methoxy-2,3-dimethylphenyl)morpholine-3-carboxamide
CID 115177555
(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120620558
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-3-carboxamide
CID 82817726
N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
N-(2-bromo-5-methylphenyl)morpholine-3-carboxamide
CID 82757225
N-(2,6-dibromophenyl)morpholine-3-carboxamide
CID 107599564

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide (CID 119709153) is N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide is Cc1c(NC(=O)C2COCCN2)cccc1C(F)(F)F.
What is the InChIKey of N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is FJIOFZBYZKXWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8-9(13(14,15)16)3-2-4-10(8)18-12(19)11-7-20-6-5-17-11/h2-4,11,17H,5-7H2,1H3,(H,18,19).
What are the key properties of N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide?
N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 119709153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).