N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide

C13H14ClF3N2O4 — CID 108530055

IUPACN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)OC
InChIInChI=1S/C13H14ClF3N2O4/c1-22-10(23-2)6-18-11(20)12(21)19-9-4-3-7(14)5-8(9)13(15,16)17/h3-5,10H,6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRTBDCDAXYRVPGS-UHFFFAOYSA-N
MW354.71 g/mol
LogP2.03
Rot. Bonds5

About N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide

N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide (PubChem CID 108530055) has the molecular formula C13H14ClF3N2O4 and a molecular weight of 354.71 g/mol. Its IUPAC name is N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
PubChem CID108530055
Molecular FormulaC13H14ClF3N2O4
Molecular Weight354.71 g/mol
Exact Mass354.06
IUPAC NameN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)OC
InChIInChI=1S/C13H14ClF3N2O4/c1-22-10(23-2)6-18-11(20)12(21)19-9-4-3-7(14)5-8(9)13(15,16)17/h3-5,10H,6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRTBDCDAXYRVPGS-UHFFFAOYSA-N
XLogP2.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.71
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)aniline
CID 63686793
N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530034
N-(2,2-dimethoxyethyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 146080919
N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108516166
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide
CID 108505353
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103029050
4-O-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089233
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512311
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195644
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523166
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide
CID 108519957

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide?
The IUPAC name of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide (CID 108530055) is N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide.
What is the SMILES notation for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide?
The canonical SMILES for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide is COC(CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)OC.
What is the InChIKey of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide?
The InChIKey is RTBDCDAXYRVPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O4/c1-22-10(23-2)6-18-11(20)12(21)19-9-4-3-7(14)5-8(9)13(15,16)17/h3-5,10H,6H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide?
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide has a molecular weight of 354.71 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide is sourced from PubChem (CID 108530055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).