3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide

C22H18F2N2O2 — CID 109054270

IUPAC3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C22H18F2N2O2/c1-14-6-2-3-7-17(14)13-25-21(27)15-8-4-9-16(12-15)22(28)26-20-18(23)10-5-11-19(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyDROGCHDITIAAOZ-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.46
Rot. Bonds5

About 3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide

3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109054270) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109054270
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C22H18F2N2O2/c1-14-6-2-3-7-17(14)13-25-21(27)15-8-4-9-16(12-15)22(28)26-20-18(23)10-5-11-19(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyDROGCHDITIAAOZ-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
3-N-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054238
3-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054257
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide
CID 63186090
3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054218
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide (CID 109054270) is 3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide is Cc1ccccc1CNC(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is DROGCHDITIAAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-14-6-2-3-7-17(14)13-25-21(27)15-8-4-9-16(12-15)22(28)26-20-18(23)10-5-11-19(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 380.39 g/mol, XLogP of 4.46, 5 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-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).