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

C14H18ClF3N2O3 — CID 119794822

IUPACN-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)C2COCCN2)ccc1OCC(F)(F)F.Cl
InChIInChI=1S/C14H17F3N2O3.ClH/c1-9-6-10(2-3-12(9)22-8-14(15,16)17)19-13(20)11-7-21-5-4-18-11;/h2-3,6,11,18H,4-5,7-8H2,1H3,(H,19,20);1H
InChIKeyJLNYYLFNYGWPRY-UHFFFAOYSA-N
MW354.76 g/mol
LogP2.28
Rot. Bonds4

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

N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119794822) has the molecular formula C14H18ClF3N2O3 and a molecular weight of 354.76 g/mol. Its IUPAC name is N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119794822
Molecular FormulaC14H18ClF3N2O3
Molecular Weight354.76 g/mol
Exact Mass354.10
IUPAC NameN-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)C2COCCN2)ccc1OCC(F)(F)F.Cl
InChIInChI=1S/C14H17F3N2O3.ClH/c1-9-6-10(2-3-12(9)22-8-14(15,16)17)19-13(20)11-7-21-5-4-18-11;/h2-3,6,11,18H,4-5,7-8H2,1H3,(H,19,20);1H
InChIKeyJLNYYLFNYGWPRY-UHFFFAOYSA-N
XLogP2.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
N-(3-methyl-4-pyridin-3-yloxyphenyl)morpholine-3-carboxamide;dihydrochloride
CID 119864469
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride
CID 119717546
N-(3-ethyl-4-methoxyphenyl)morpholine-3-carboxamide
CID 115177545
N-[3-(cyclohexylmethoxy)-4-methylphenyl]morpholine-3-carboxamide
CID 119797837
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119891518
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide
CID 119887677
N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119676727

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride (CID 119794822) is N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride is Cc1cc(NC(=O)C2COCCN2)ccc1OCC(F)(F)F.Cl.
What is the InChIKey of N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is JLNYYLFNYGWPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3.ClH/c1-9-6-10(2-3-12(9)22-8-14(15,16)17)19-13(20)11-7-21-5-4-18-11;/h2-3,6,11,18H,4-5,7-8H2,1H3,(H,19,20);1H.
What are the key properties of N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 354.76 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119794822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).