N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide

C17H14ClF3N2O2 — CID 108523166

IUPACN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C
InChIInChI=1S/C17H14ClF3N2O2/c1-9-3-5-12(7-10(9)2)22-15(24)16(25)23-14-6-4-11(18)8-13(14)17(19,20)21/h3-8H,1-2H3,(H,22,24)(H,23,25)
InChIKeyLSKQXBTXXVVEJX-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.55
Rot. Bonds2

About N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide

N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide (PubChem CID 108523166) 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-(3,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
PubChem CID108523166
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC NameN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C
InChIInChI=1S/C17H14ClF3N2O2/c1-9-3-5-12(7-10(9)2)22-15(24)16(25)23-14-6-4-11(18)8-13(14)17(19,20)21/h3-8H,1-2H3,(H,22,24)(H,23,25)
InChIKeyLSKQXBTXXVVEJX-UHFFFAOYSA-N
XLogP4.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515804
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512311
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide
CID 108519957
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1321750
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523144
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287302
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
CID 108956825
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
CID 108530055
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide
CID 109010316
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide
CID 108505353

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide?
The IUPAC name of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide (CID 108523166) is N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide.
What is the SMILES notation for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide?
The canonical SMILES for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C.
What is the InChIKey of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide?
The InChIKey is LSKQXBTXXVVEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c1-9-3-5-12(7-10(9)2)22-15(24)16(25)23-14-6-4-11(18)8-13(14)17(19,20)21/h3-8H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide?
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide has a molecular weight of 370.76 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide is sourced from PubChem (CID 108523166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).