N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide

C14H14ClF3N2O3 — CID 108507658

IUPACN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H14ClF3N2O3/c15-8-3-4-11(10(6-8)14(16,17)18)20-13(22)12(21)19-7-9-2-1-5-23-9/h3-4,6,9H,1-2,5,7H2,(H,19,21)(H,20,22)
InChIKeyCHYHPQYUAZOXLL-UHFFFAOYSA-N
MW350.72 g/mol
LogP2.59
Rot. Bonds3

About N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide

N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 108507658) has the molecular formula C14H14ClF3N2O3 and a molecular weight of 350.72 g/mol. Its IUPAC name is N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide
PubChem CID108507658
Molecular FormulaC14H14ClF3N2O3
Molecular Weight350.72 g/mol
Exact Mass350.06
IUPAC NameN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H14ClF3N2O3/c15-8-3-4-11(10(6-8)14(16,17)18)20-13(22)12(21)19-7-9-2-1-5-23-9/h3-4,6,9H,1-2,5,7H2,(H,19,21)(H,20,22)
InChIKeyCHYHPQYUAZOXLL-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.72
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51389949
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943767
3-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113133699
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113190839
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640554
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide
CID 110863811
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109045666

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide (CID 108507658) is N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide is O=C(NCC1CCCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is CHYHPQYUAZOXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O3/c15-8-3-4-11(10(6-8)14(16,17)18)20-13(22)12(21)19-7-9-2-1-5-23-9/h3-4,6,9H,1-2,5,7H2,(H,19,21)(H,20,22).
What are the key properties of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide?
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 350.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 108507658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).