N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide

C14H17F3N2O3 — CID 56824373

IUPACN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide
SMILESCc1c(NC(=O)N2CCOCC2)cccc1OCC(F)(F)F
InChIInChI=1S/C14H17F3N2O3/c1-10-11(18-13(20)19-5-7-21-8-6-19)3-2-4-12(10)22-9-14(15,16)17/h2-4H,5-9H2,1H3,(H,18,20)
InChIKeyPWFRJNDABGHUTP-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.80
Rot. Bonds3

About N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide

N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide (PubChem CID 56824373) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide
PubChem CID56824373
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC NameN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide
SMILESCc1c(NC(=O)N2CCOCC2)cccc1OCC(F)(F)F
InChIInChI=1S/C14H17F3N2O3/c1-10-11(18-13(20)19-5-7-21-8-6-19)3-2-4-12(10)22-9-14(15,16)17/h2-4H,5-9H2,1H3,(H,18,20)
InChIKeyPWFRJNDABGHUTP-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120791678
2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769160
(2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide
CID 95907066
N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432
(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119315205
1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 56824446
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
CID 47041273
2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769186
4-benzoyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 112825360
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119315211
2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid
CID 63747234
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119315217

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide (CID 56824373) is N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide is Cc1c(NC(=O)N2CCOCC2)cccc1OCC(F)(F)F.
What is the InChIKey of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide?
The InChIKey is PWFRJNDABGHUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-10-11(18-13(20)19-5-7-21-8-6-19)3-2-4-12(10)22-9-14(15,16)17/h2-4H,5-9H2,1H3,(H,18,20).
What are the key properties of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide?
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 56824373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).