N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide

C20H21F3N2O2 — CID 43906797

IUPACN-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide
SMILESCc1cc(C)c(C(C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C20H21F3N2O2/c1-11-8-13(3)17(9-12(11)2)14(4)24-18(26)19(27)25-16-7-5-6-15(10-16)20(21,22)23/h5-10,14H,1-4H3,(H,24,26)(H,25,27)
InChIKeyLPUHXPYUCFZVDT-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.45
Rot. Bonds3

About N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide

N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide (PubChem CID 43906797) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide
PubChem CID43906797
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide
SMILESCc1cc(C)c(C(C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C20H21F3N2O2/c1-11-8-13(3)17(9-12(11)2)14(4)24-18(26)19(27)25-16-7-5-6-15(10-16)20(21,22)23/h5-10,14H,1-4H3,(H,24,26)(H,25,27)
InChIKeyLPUHXPYUCFZVDT-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.45
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'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 7201553
1-[1-(2,4-dimethylphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 17298996
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108987361
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
CID 30405095
N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501480
N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501381
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78875284
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 17284087
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 78972964

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide (CID 43906797) is N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide is Cc1cc(C)c(C(C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide?
The InChIKey is LPUHXPYUCFZVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-11-8-13(3)17(9-12(11)2)14(4)24-18(26)19(27)25-16-7-5-6-15(10-16)20(21,22)23/h5-10,14H,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide?
N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide has a molecular weight of 378.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide is sourced from PubChem (CID 43906797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).