3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide

C18H17F3N2O2 — CID 109055931

IUPAC3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C18H17F3N2O2/c1-3-23(4-2)18(25)12-7-5-6-11(10-12)17(24)22-14-9-8-13(19)15(20)16(14)21/h5-10H,3-4H2,1-2H3,(H,22,24)
InChIKeyMXFPWRNTPSXZQY-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.84
Rot. Bonds5

About 3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide

3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109055931) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
PubChem CID109055931
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C18H17F3N2O2/c1-3-23(4-2)18(25)12-7-5-6-11(10-12)17(24)22-14-9-8-13(19)15(20)16(14)21/h5-10H,3-4H2,1-2H3,(H,22,24)
InChIKeyMXFPWRNTPSXZQY-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055915
1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109056346
1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055921
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109055054
3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109051962
3-acetamido-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773105
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109101322
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055871
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057333
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide (CID 109055931) is 3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide is CCN(CC)C(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is MXFPWRNTPSXZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-3-23(4-2)18(25)12-7-5-6-11(10-12)17(24)22-14-9-8-13(19)15(20)16(14)21/h5-10H,3-4H2,1-2H3,(H,22,24).
What are the key properties of 3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 350.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).