N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide

C14H16ClF3N2O3 — CID 108505353

IUPACN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O3/c1-2-23-7-3-6-19-12(21)13(22)20-11-5-4-9(15)8-10(11)14(16,17)18/h4-5,8H,2-3,6-7H2,1H3,(H,19,21)(H,20,22)
InChIKeyBPCVSAUXYAAQPH-UHFFFAOYSA-N
MW352.74 g/mol
LogP2.84
Rot. Bonds6

About N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide

N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide (PubChem CID 108505353) has the molecular formula C14H16ClF3N2O3 and a molecular weight of 352.74 g/mol. Its IUPAC name is N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide.

Molecular Properties

Compound NameN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide
PubChem CID108505353
Molecular FormulaC14H16ClF3N2O3
Molecular Weight352.74 g/mol
Exact Mass352.08
IUPAC NameN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O3/c1-2-23-7-3-6-19-12(21)13(22)20-11-5-4-9(15)8-10(11)14(16,17)18/h4-5,8H,2-3,6-7H2,1H3,(H,19,21)(H,20,22)
InChIKeyBPCVSAUXYAAQPH-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-ethoxypropyl)thiourea
CID 115570504
N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47147953
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
CID 108530055
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide
CID 108519957
N-(3-butoxypropyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108506520
N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999475
N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 125144861
N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
CID 21369940
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523166
N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47225872

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide?
The IUPAC name of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide (CID 108505353) is N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide.
What is the SMILES notation for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide?
The canonical SMILES for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide is CCOCCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide?
The InChIKey is BPCVSAUXYAAQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O3/c1-2-23-7-3-6-19-12(21)13(22)20-11-5-4-9(15)8-10(11)14(16,17)18/h4-5,8H,2-3,6-7H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide?
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide has a molecular weight of 352.74 g/mol, XLogP of 2.84, 6 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-(3-ethoxypropyl)oxamide is sourced from PubChem (CID 108505353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).