N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride

C19H20ClF3N2O3 — CID 119773679

IUPACN-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C1COCCN1
InChIInChI=1S/C19H19F3N2O3.ClH/c20-19(21,22)14-3-1-2-13(10-14)11-27-16-6-4-15(5-7-16)24-18(25)17-12-26-9-8-23-17;/h1-7,10,17,23H,8-9,11-12H2,(H,24,25);1H
InChIKeyGHKIZQDRBUTRHP-UHFFFAOYSA-N
MW416.83 g/mol
LogP3.63
Rot. Bonds5

About N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride

N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119773679) has the molecular formula C19H20ClF3N2O3 and a molecular weight of 416.83 g/mol. Its IUPAC name is N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119773679
Molecular FormulaC19H20ClF3N2O3
Molecular Weight416.83 g/mol
Exact Mass416.11
IUPAC NameN-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C1COCCN1
InChIInChI=1S/C19H19F3N2O3.ClH/c20-19(21,22)14-3-1-2-13(10-14)11-27-16-6-4-15(5-7-16)24-18(25)17-12-26-9-8-23-17;/h1-7,10,17,23H,8-9,11-12H2,(H,24,25);1H
InChIKeyGHKIZQDRBUTRHP-UHFFFAOYSA-N
XLogP3.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.83
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[3-(trifluoromethyl)phenyl]methoxy]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

(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[4-[(2-fluorophenyl)methoxy]phenyl]morpholine-3-carboxamide
CID 119762553
N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119775977
N-(4-phenoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 75422319
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119794822
(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide
CID 124595367
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119783651
N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide
CID 119887677
2-methyl-3-(methylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide;hydrochloride
CID 119773685
N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-3-carboxamide
CID 82817726
ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride
CID 119672431

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride (CID 119773679) is N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C1COCCN1.
What is the InChIKey of N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is GHKIZQDRBUTRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3.ClH/c20-19(21,22)14-3-1-2-13(10-14)11-27-16-6-4-15(5-7-16)24-18(25)17-12-26-9-8-23-17;/h1-7,10,17,23H,8-9,11-12H2,(H,24,25);1H.
What are the key properties of N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride?
N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 416.83 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119773679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).