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

C16H11Cl2F3N2O2 — CID 108515804

IUPACN'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11Cl2F3N2O2/c1-8-6-9(17)2-5-13(8)23-15(25)14(24)22-10-3-4-12(18)11(7-10)16(19,20)21/h2-7H,1H3,(H,22,24)(H,23,25)
InChIKeySTMAEUVOUMGXMH-UHFFFAOYSA-N
MW391.18 g/mol
LogP4.90
Rot. Bonds2

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

N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108515804) has the molecular formula C16H11Cl2F3N2O2 and a molecular weight of 391.18 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
PubChem CID108515804
Molecular FormulaC16H11Cl2F3N2O2
Molecular Weight391.18 g/mol
Exact Mass390.01
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11Cl2F3N2O2/c1-8-6-9(17)2-5-13(8)23-15(25)14(24)22-10-3-4-12(18)11(7-10)16(19,20)21/h2-7H,1H3,(H,22,24)(H,23,25)
InChIKeySTMAEUVOUMGXMH-UHFFFAOYSA-N
XLogP4.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.18
LogP ≤ 54.90
H-Bond Donors ≤ 52
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]-N-(3,4-dimethylphenyl)oxamide
CID 108523166
1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 98000868
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108515782
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108515794
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2,4-dimethylphenyl)propanediamide
CID 108953519
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515875
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 17168215
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512311
N'-acetyl-N'-(2-aminoethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515874
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide (CID 108515804) is N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is STMAEUVOUMGXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N2O2/c1-8-6-9(17)2-5-13(8)23-15(25)14(24)22-10-3-4-12(18)11(7-10)16(19,20)21/h2-7H,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 391.18 g/mol, XLogP of 4.90, 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-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108515804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).