N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide

C17H14ClF3N2O2 — CID 108518687

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H14ClF3N2O2/c1-2-23(12-6-4-3-5-7-12)16(25)15(24)22-14-9-8-11(18)10-13(14)17(19,20)21/h3-10H,2H2,1H3,(H,22,24)
InChIKeyGRFNRHQUIUOLMM-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.35
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide (PubChem CID 108518687) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide
PubChem CID108518687
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H14ClF3N2O2/c1-2-23(12-6-4-3-5-7-12)16(25)15(24)22-14-9-8-11(18)10-13(14)17(19,20)21/h3-10H,2H2,1H3,(H,22,24)
InChIKeyGRFNRHQUIUOLMM-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
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-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036576
N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide
CID 108523701
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methyl-1-phenylurea
CID 108991173
N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108516466
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 113229852
N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide
CID 108523839
1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea
CID 108887668
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
1-benzyl-3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylurea
CID 108988898
N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 109011119

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide (CID 108518687) is N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide is CCN(C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide?
The InChIKey is GRFNRHQUIUOLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c1-2-23(12-6-4-3-5-7-12)16(25)15(24)22-14-9-8-11(18)10-13(14)17(19,20)21/h3-10H,2H2,1H3,(H,22,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide has a molecular weight of 370.76 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide is sourced from PubChem (CID 108518687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).