N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide

C14H17F3N2O2 — CID 108528580

IUPACN'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-3-4-9-19(2)13(21)12(20)18-11-7-5-10(6-8-11)14(15,16)17/h5-8H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyPGBCKQPHLGIDTP-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.90
Rot. Bonds4

About N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide

N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 108528580) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID108528580
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-3-4-9-19(2)13(21)12(20)18-11-7-5-10(6-8-11)14(15,16)17/h5-8H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyPGBCKQPHLGIDTP-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide
CID 47334598
N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide
CID 108508773
N-[3,5-bis(trifluoromethyl)phenyl]-N',N'-dibutyloxamide
CID 108524560
N'-(3-aminopropyl)-N'-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxamide
CID 166237463
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608
N'-butyl-N'-methyl-N-(3-methylsulfanylphenyl)oxamide
CID 47334614
2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109333587
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089
N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide
CID 108528510
N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108528519
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 43318418

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide (CID 108528580) is N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide is CCCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is PGBCKQPHLGIDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-3-4-9-19(2)13(21)12(20)18-11-7-5-10(6-8-11)14(15,16)17/h5-8H,3-4,9H2,1-2H3,(H,18,20).
What are the key properties of N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 302.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108528580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).