N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide

C19H19F3N2O2 — CID 108532679

IUPACN'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O2/c1-3-12(2)15-6-4-5-7-16(15)24-18(26)17(25)23-14-10-8-13(9-11-14)19(20,21)22/h4-12H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDKBZIXBNUALTSL-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.80
Rot. Bonds4

About N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide

N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 108532679) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID108532679
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O2/c1-3-12(2)15-6-4-5-7-16(15)24-18(26)17(25)23-14-10-8-13(9-11-14)19(20,21)22/h4-12H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDKBZIXBNUALTSL-UHFFFAOYSA-N
XLogP4.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.80
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'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998950
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7838504
N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221610
N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998922
N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509432
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
(Z)-3-(2-butan-2-ylanilino)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826421
N-(2-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108509668
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050

Frequently Asked Questions

What is the IUPAC name of N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (CID 108532679) is N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is CCC(C)c1ccccc1NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is DKBZIXBNUALTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-3-12(2)15-6-4-5-7-16(15)24-18(26)17(25)23-14-10-8-13(9-11-14)19(20,21)22/h4-12H,3H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 364.37 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108532679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).