N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

C19H19F3N2O2 — CID 108501438

IUPACN-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H19F3N2O2/c1-18(2,3)12-7-9-14(10-8-12)23-16(25)17(26)24-15-6-4-5-13(11-15)19(20,21)22/h4-11H,1-3H3,(H,23,25)(H,24,26)
InChIKeyIBOZMMRCVBVPOR-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.58
Rot. Bonds2

About N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108501438) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID108501438
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H19F3N2O2/c1-18(2,3)12-7-9-14(10-8-12)23-16(25)17(26)24-15-6-4-5-13(11-15)19(20,21)22/h4-11H,1-3H3,(H,23,25)(H,24,26)
InChIKeyIBOZMMRCVBVPOR-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.58
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-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108987361
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501318
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501381
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 108501438) is N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is IBOZMMRCVBVPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-18(2,3)12-7-9-14(10-8-12)23-16(25)17(26)24-15-6-4-5-13(11-15)19(20,21)22/h4-11H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 364.37 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108501438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).