N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride

C14H18ClF3N2O3 — CID 119721497

IUPACN-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc(OC(F)(F)F)cc1)C1COCCN1
InChIInChI=1S/C14H17F3N2O3.ClH/c15-14(16,17)22-11-3-1-10(2-4-11)5-6-19-13(20)12-9-21-8-7-18-12;/h1-4,12,18H,5-9H2,(H,19,20);1H
InChIKeySSMBJRKKNJOYLV-UHFFFAOYSA-N
MW354.76 g/mol
LogP1.65
Rot. Bonds5

About N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride

N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119721497) has the molecular formula C14H18ClF3N2O3 and a molecular weight of 354.76 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119721497
Molecular FormulaC14H18ClF3N2O3
Molecular Weight354.76 g/mol
Exact Mass354.10
IUPAC NameN-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc(OC(F)(F)F)cc1)C1COCCN1
InChIInChI=1S/C14H17F3N2O3.ClH/c15-14(16,17)22-11-3-1-10(2-4-11)5-6-19-13(20)12-9-21-8-7-18-12;/h1-4,12,18H,5-9H2,(H,19,20);1H
InChIKeySSMBJRKKNJOYLV-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-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
CID 119701381
N-[3-(4-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119757179
3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
CID 104704065
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119695885
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119694151
N-[2-(3,5-dichlorophenyl)ethyl]morpholine-3-carboxamide
CID 119752644
4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide
CID 138050957
N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119735842
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride (CID 119721497) is N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(NCCc1ccc(OC(F)(F)F)cc1)C1COCCN1.
What is the InChIKey of N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is SSMBJRKKNJOYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3.ClH/c15-14(16,17)22-11-3-1-10(2-4-11)5-6-19-13(20)12-9-21-8-7-18-12;/h1-4,12,18H,5-9H2,(H,19,20);1H.
What are the key properties of N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride?
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-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-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119721497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).