N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide

C18H16ClF3N2O2 — CID 108512311

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1
InChIInChI=1S/C18H16ClF3N2O2/c1-9-6-10(2)15(11(3)7-9)24-17(26)16(25)23-14-5-4-12(19)8-13(14)18(20,21)22/h4-8H,1-3H3,(H,23,25)(H,24,26)
InChIKeyHFCASPHJNWKRKZ-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.86
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 108512311) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID108512311
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1
InChIInChI=1S/C18H16ClF3N2O2/c1-9-6-10(2)15(11(3)7-9)24-17(26)16(25)23-14-5-4-12(19)8-13(14)18(20,21)22/h4-8H,1-3H3,(H,23,25)(H,24,26)
InChIKeyHFCASPHJNWKRKZ-UHFFFAOYSA-N
XLogP4.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.86
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
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 4512628
N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512199
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
CID 108530055
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890288
N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515804
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide
CID 110705369
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide (CID 108512311) is N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is HFCASPHJNWKRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-9-6-10(2)15(11(3)7-9)24-17(26)16(25)23-14-5-4-12(19)8-13(14)18(20,21)22/h4-8H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 384.79 g/mol, XLogP of 4.86, 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'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 108512311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).