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

C19H18ClF3N2O4 — CID 108519957

IUPACN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OCC
InChIInChI=1S/C19H18ClF3N2O4/c1-3-28-15-8-6-12(10-16(15)29-4-2)24-17(26)18(27)25-14-7-5-11(20)9-13(14)19(21,22)23/h5-10H,3-4H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXCKXHVWVJDCHPS-UHFFFAOYSA-N
MW430.81 g/mol
LogP4.73
Rot. Bonds6

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

N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide (PubChem CID 108519957) has the molecular formula C19H18ClF3N2O4 and a molecular weight of 430.81 g/mol. Its IUPAC name is N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide
PubChem CID108519957
Molecular FormulaC19H18ClF3N2O4
Molecular Weight430.81 g/mol
Exact Mass430.09
IUPAC NameN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OCC
InChIInChI=1S/C19H18ClF3N2O4/c1-3-28-15-8-6-12(10-16(15)29-4-2)24-17(26)18(27)25-14-7-5-11(20)9-13(14)19(21,22)23/h5-10H,3-4H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXCKXHVWVJDCHPS-UHFFFAOYSA-N
XLogP4.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.81
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523166
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide
CID 108505353
N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide
CID 108506834
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
CID 108530055
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515804
N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24604753
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
CID 108956825
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512311
ethyl 4-[4-chloro-2-(trifluoromethyl)anilino]-4-oxobutanoate
CID 60660652

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide?
The IUPAC name of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide (CID 108519957) is N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide.
What is the SMILES notation for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide?
The canonical SMILES for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OCC.
What is the InChIKey of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide?
The InChIKey is XCKXHVWVJDCHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O4/c1-3-28-15-8-6-12(10-16(15)29-4-2)24-17(26)18(27)25-14-7-5-11(20)9-13(14)19(21,22)23/h5-10H,3-4H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide?
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide has a molecular weight of 430.81 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide is sourced from PubChem (CID 108519957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).