3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide

C19H20F2N2O2 — CID 109056257

IUPAC3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C19H20F2N2O2/c1-12(2)9-10-22-18(24)13-5-3-6-14(11-13)19(25)23-17-15(20)7-4-8-16(17)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJRWFNHTYTDLXHG-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.99
Rot. Bonds6

About 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide

3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide (PubChem CID 109056257) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
PubChem CID109056257
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C19H20F2N2O2/c1-12(2)9-10-22-18(24)13-5-3-6-14(11-13)19(25)23-17-15(20)7-4-8-16(17)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJRWFNHTYTDLXHG-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056183
3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056207
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055819
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
1-N-(3-methylbutyl)-3-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056231
3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054270
ethyl 4-[[3-(3-methylbutylcarbamoyl)benzoyl]amino]benzoate
CID 109056240
1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109048639
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054298
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide (CID 109056257) is 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide is CC(C)CCNC(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The InChIKey is JRWFNHTYTDLXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12(2)9-10-22-18(24)13-5-3-6-14(11-13)19(25)23-17-15(20)7-4-8-16(17)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).