N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide

C17H14ClF3N2O2 — CID 108984887

IUPACN'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14ClF3N2O2/c1-23(10-11-5-3-2-4-6-11)16(25)15(24)22-14-9-12(17(19,20)21)7-8-13(14)18/h2-9H,10H2,1H3,(H,22,24)
InChIKeyQMPGWOYGUXDLHB-UHFFFAOYSA-N
MW370.76 g/mol
LogP3.96
Rot. Bonds3

About N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide

N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide (PubChem CID 108984887) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide
PubChem CID108984887
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC NameN'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14ClF3N2O2/c1-23(10-11-5-3-2-4-6-11)16(25)15(24)22-14-9-12(17(19,20)21)7-8-13(14)18/h2-9H,10H2,1H3,(H,22,24)
InChIKeyQMPGWOYGUXDLHB-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985634
4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
CID 126143258
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1317339
N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
CID 108514233
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
N-benzyl-N'-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanediamide
CID 108961616
2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2162964
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036553
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
CID 113000076
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(1-phenylethylideneamino)oxamide
CID 3457721

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide?
The IUPAC name of N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide (CID 108984887) is N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide.
What is the SMILES notation for N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide?
The canonical SMILES for N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide is CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide?
The InChIKey is QMPGWOYGUXDLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c1-23(10-11-5-3-2-4-6-11)16(25)15(24)22-14-9-12(17(19,20)21)7-8-13(14)18/h2-9H,10H2,1H3,(H,22,24).
What are the key properties of N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide?
N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide has a molecular weight of 370.76 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide is sourced from PubChem (CID 108984887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).