3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide

C19H20F2N2O2 — CID 109056441

IUPAC3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C19H20F2N2O2/c1-3-4-11-23(2)19(25)14-8-5-7-13(12-14)18(24)22-17-15(20)9-6-10-16(17)21/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyOINRSMAWAPAUPG-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.09
Rot. Bonds6

About 3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide

3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 109056441) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID109056441
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C19H20F2N2O2/c1-3-4-11-23(2)19(25)14-8-5-7-13(12-14)18(24)22-17-15(20)9-6-10-16(17)21/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyOINRSMAWAPAUPG-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109090032
3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056365
3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056374
3-N-butyl-3-N-methyl-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050938
3-N-butyl-1-N-(4-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056438
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821
1-N-(2,6-difluorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057077
3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056400
N-butyl-3-carbamothioyl-N-methylbenzamide
CID 24696924
N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide
CID 109064691
3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056257
2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide
CID 62649252

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide (CID 109056441) is 3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is OINRSMAWAPAUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-3-4-11-23(2)19(25)14-8-5-7-13(12-14)18(24)22-17-15(20)9-6-10-16(17)21/h5-10,12H,3-4,11H2,1-2H3,(H,22,24).
What are the key properties of 3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide?
3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 346.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).