N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

C19H18F4N2O3 — CID 86812675

IUPACN'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCCOc1cc(F)ccc1NC(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F4N2O3/c1-2-28-16-11-14(20)7-8-15(16)25-18(27)17(26)24-10-9-12-3-5-13(6-4-12)19(21,22)23/h3-8,11H,2,9-10H2,1H3,(H,24,26)(H,25,27)
InChIKeyXGXUIQULEOCEHJ-UHFFFAOYSA-N
MW398.36 g/mol
LogP3.54
Rot. Bonds6

About N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 86812675) has the molecular formula C19H18F4N2O3 and a molecular weight of 398.36 g/mol. Its IUPAC name is N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID86812675
Molecular FormulaC19H18F4N2O3
Molecular Weight398.36 g/mol
Exact Mass398.13
IUPAC NameN'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCCOc1cc(F)ccc1NC(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F4N2O3/c1-2-28-16-11-14(20)7-8-15(16)25-18(27)17(26)24-10-9-12-3-5-13(6-4-12)19(21,22)23/h3-8,11H,2,9-10H2,1H3,(H,24,26)(H,25,27)
InChIKeyXGXUIQULEOCEHJ-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 53.54
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

N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 108529772
N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide
CID 108512624
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60588883
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501437
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 108529747
N-[2-(4-tert-butylphenyl)ethyl]-N'-[2-(2-methoxyethoxy)phenyl]oxamide
CID 47643091
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 86812675) is N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is CCOc1cc(F)ccc1NC(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is XGXUIQULEOCEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O3/c1-2-28-16-11-14(20)7-8-15(16)25-18(27)17(26)24-10-9-12-3-5-13(6-4-12)19(21,22)23/h3-8,11H,2,9-10H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 398.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 86812675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).