1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

C22H17F3N2O2 — CID 109054164

IUPAC1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C22H17F3N2O2/c23-22(24,25)18-11-4-5-12-19(18)27-21(29)17-10-6-9-16(13-17)20(28)26-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,26,28)(H,27,29)
InChIKeySUGSGIOSNLBLJH-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.89
Rot. Bonds5

About 1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (PubChem CID 109054164) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
PubChem CID109054164
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C22H17F3N2O2/c23-22(24,25)18-11-4-5-12-19(18)27-21(29)17-10-6-9-16(13-17)20(28)26-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,26,28)(H,27,29)
InChIKeySUGSGIOSNLBLJH-UHFFFAOYSA-N
XLogP4.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054143
1-N-[2-(dimethylamino)ethyl]-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053233
1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109056986
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055208
6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109155532
3-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46778635
N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108961605
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274
4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62679068
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (CID 109054164) is 1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is O=C(NCc1ccccc1)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is SUGSGIOSNLBLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c23-22(24,25)18-11-4-5-12-19(18)27-21(29)17-10-6-9-16(13-17)20(28)26-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,26,28)(H,27,29).
What are the key properties of 1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 398.38 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).