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

C13H15F3N2O2 — CID 44998922

IUPACN'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c1-3-8(2)17-11(19)12(20)18-10-6-4-9(5-7-10)13(14,15)16/h4-8H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyTYAGRNMJSPPCCA-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.56
Rot. Bonds3

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

N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 44998922) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID44998922
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c1-3-8(2)17-11(19)12(20)18-10-6-4-9(5-7-10)13(14,15)16/h4-8H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyTYAGRNMJSPPCCA-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.56
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'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide
CID 45001357
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108532679
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998950
1-(3-oxopentan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 64994242
2-[[4-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 61181255
N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 48894809
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide (CID 44998922) is N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide is CCC(C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is TYAGRNMJSPPCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-3-8(2)17-11(19)12(20)18-10-6-4-9(5-7-10)13(14,15)16/h4-8H,3H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 288.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 44998922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).