N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide

C13H15F3N2O4 — CID 108501333

IUPACN',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(=O)N(CCO)CCO
InChIInChI=1S/C13H15F3N2O4/c14-13(15,16)9-2-1-3-10(8-9)17-11(21)12(22)18(4-6-19)5-7-20/h1-3,8,19-20H,4-7H2,(H,17,21)
InChIKeyVXIUUYCYRUKTSW-UHFFFAOYSA-N
MW320.27 g/mol
LogP0.46
Rot. Bonds5

About N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide

N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108501333) has the molecular formula C13H15F3N2O4 and a molecular weight of 320.27 g/mol. Its IUPAC name is N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID108501333
Molecular FormulaC13H15F3N2O4
Molecular Weight320.27 g/mol
Exact Mass320.10
IUPAC NameN',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(=O)N(CCO)CCO
InChIInChI=1S/C13H15F3N2O4/c14-13(15,16)9-2-1-3-10(8-9)17-11(21)12(22)18(4-6-19)5-7-20/h1-3,8,19-20H,4-7H2,(H,17,21)
InChIKeyVXIUUYCYRUKTSW-UHFFFAOYSA-N
XLogP0.46
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-hydroxyethyl(propyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110881655
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 23140293
1-(2-hydroxyethyl)-1-(thian-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 122150164
N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501381
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
(E)-2,3-dichloro-4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
CID 5386948
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501318

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide (CID 108501333) is N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide is O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N(CCO)CCO.
What is the InChIKey of N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is VXIUUYCYRUKTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4/c14-13(15,16)9-2-1-3-10(8-9)17-11(21)12(22)18(4-6-19)5-7-20/h1-3,8,19-20H,4-7H2,(H,17,21).
What are the key properties of N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide?
N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 320.27 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108501333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).