N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide

C10H8ClF3N2O2 — CID 6618227

IUPACN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF3N2O2/c1-15-8(17)9(18)16-5-2-3-7(11)6(4-5)10(12,13)14/h2-4H,1H3,(H,15,17)(H,16,18)
InChIKeyKVPRHAWNANVZPL-UHFFFAOYSA-N
MW280.63 g/mol
LogP2.04
Rot. Bonds1

About N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide

N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide (PubChem CID 6618227) has the molecular formula C10H8ClF3N2O2 and a molecular weight of 280.63 g/mol. Its IUPAC name is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide
PubChem CID6618227
Molecular FormulaC10H8ClF3N2O2
Molecular Weight280.63 g/mol
Exact Mass280.02
IUPAC NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF3N2O2/c1-15-8(17)9(18)16-5-2-3-7(11)6(4-5)10(12,13)14/h2-4H,1H3,(H,15,17)(H,16,18)
InChIKeyKVPRHAWNANVZPL-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.63
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide?
The IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide (CID 6618227) is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide.
What is the SMILES notation for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide?
The canonical SMILES for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide is CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide?
The InChIKey is KVPRHAWNANVZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2O2/c1-15-8(17)9(18)16-5-2-3-7(11)6(4-5)10(12,13)14/h2-4H,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide?
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide has a molecular weight of 280.63 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyloxamide is sourced from PubChem (CID 6618227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).