N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride

C14H18ClF3N2O3 — CID 119821343

IUPACN-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccccc1OC(F)(F)F)C1CNCCO1
InChIInChI=1S/C14H17F3N2O3.ClH/c15-14(16,17)22-11-4-2-1-3-10(11)5-6-19-13(20)12-9-18-7-8-21-12;/h1-4,12,18H,5-9H2,(H,19,20);1H
InChIKeyDQKWIYYCXIOMGM-UHFFFAOYSA-N
MW354.76 g/mol
LogP1.65
Rot. Bonds5

About N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride

N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119821343) has the molecular formula C14H18ClF3N2O3 and a molecular weight of 354.76 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119821343
Molecular FormulaC14H18ClF3N2O3
Molecular Weight354.76 g/mol
Exact Mass354.10
IUPAC NameN-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccccc1OC(F)(F)F)C1CNCCO1
InChIInChI=1S/C14H17F3N2O3.ClH/c15-14(16,17)22-11-4-2-1-3-10(11)5-6-19-13(20)12-9-18-7-8-21-12;/h1-4,12,18H,5-9H2,(H,19,20);1H
InChIKeyDQKWIYYCXIOMGM-UHFFFAOYSA-N
XLogP1.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119780505
N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide
CID 119780506
4-hydroxy-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119821322
N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119784414
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119801569
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119558303
N-[2-[(2-methylpropan-2-yl)oxy]phenyl]morpholine-2-carboxamide;hydrochloride
CID 119792290

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride (CID 119821343) is N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(NCCc1ccccc1OC(F)(F)F)C1CNCCO1.
What is the InChIKey of N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is DQKWIYYCXIOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3.ClH/c15-14(16,17)22-11-4-2-1-3-10(11)5-6-19-13(20)12-9-18-7-8-21-12;/h1-4,12,18H,5-9H2,(H,19,20);1H.
What are the key properties of N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride?
N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 354.76 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethoxy)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119821343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).