N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride

C15H18Cl2F3N3O3 — CID 119683148

IUPACN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1COCCN1.Cl
InChIInChI=1S/C15H17ClF3N3O3.ClH/c1-22(14(24)12-8-25-5-4-20-12)7-13(23)21-9-2-3-11(16)10(6-9)15(17,18)19;/h2-3,6,12,20H,4-5,7-8H2,1H3,(H,21,23);1H
InChIKeyCDFOTTWMXKQSBG-UHFFFAOYSA-N
MW416.23 g/mol
LogP2.17
Rot. Bonds4

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 119683148) has the molecular formula C15H18Cl2F3N3O3 and a molecular weight of 416.23 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID119683148
Molecular FormulaC15H18Cl2F3N3O3
Molecular Weight416.23 g/mol
Exact Mass415.07
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1COCCN1.Cl
InChIInChI=1S/C15H17ClF3N3O3.ClH/c1-22(14(24)12-8-25-5-4-20-12)7-13(23)21-9-2-3-11(16)10(6-9)15(17,18)19;/h2-3,6,12,20H,4-5,7-8H2,1H3,(H,21,23);1H
InChIKeyCDFOTTWMXKQSBG-UHFFFAOYSA-N
XLogP2.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 119683149
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42904954
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide
CID 26293555
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119684849
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711413
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-cyclohexyl-N-methylpropanamide
CID 18229226
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
2-amino-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N,2-dimethylpentanamide
CID 119683177
N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55833426
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride (CID 119683148) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1COCCN1.Cl.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is CDFOTTWMXKQSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3O3.ClH/c1-22(14(24)12-8-25-5-4-20-12)7-13(23)21-9-2-3-11(16)10(6-9)15(17,18)19;/h2-3,6,12,20H,4-5,7-8H2,1H3,(H,21,23);1H.
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 416.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119683148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).