N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide

C13H12ClF3N2O3 — CID 108509700

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H12ClF3N2O3/c14-10-2-1-8(7-9(10)13(15,16)17)18-11(20)12(21)19-3-5-22-6-4-19/h1-2,7H,3-6H2,(H,18,20)
InChIKeyZPLKWHPRMYPLQO-UHFFFAOYSA-N
MW336.70 g/mol
LogP2.16
Rot. Bonds1

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 108509700) has the molecular formula C13H12ClF3N2O3 and a molecular weight of 336.70 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide
PubChem CID108509700
Molecular FormulaC13H12ClF3N2O3
Molecular Weight336.70 g/mol
Exact Mass336.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H12ClF3N2O3/c14-10-2-1-8(7-9(10)13(15,16)17)18-11(20)12(21)19-3-5-22-6-4-19/h1-2,7H,3-6H2,(H,18,20)
InChIKeyZPLKWHPRMYPLQO-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.70
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711413
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108515809
[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276545
[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153498
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 110372029
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide
CID 108515917
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2713360
2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide
CID 110901563
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 91969033
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507170
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25337539
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide (CID 108509700) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCOCC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide?
The InChIKey is ZPLKWHPRMYPLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O3/c14-10-2-1-8(7-9(10)13(15,16)17)18-11(20)12(21)19-3-5-22-6-4-19/h1-2,7H,3-6H2,(H,18,20).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 336.70 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 108509700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).