1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

C22H17F3N2O2 — CID 109056986

IUPAC1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1
InChIInChI=1S/C22H17F3N2O2/c1-14-9-11-17(12-10-14)26-20(28)15-5-4-6-16(13-15)21(29)27-19-8-3-2-7-18(19)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyXZXSHEPFAJAUKE-UHFFFAOYSA-N
MW398.38 g/mol
LogP5.52
Rot. Bonds4

About 1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (PubChem CID 109056986) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
PubChem CID109056986
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1
InChIInChI=1S/C22H17F3N2O2/c1-14-9-11-17(12-10-14)26-20(28)15-5-4-6-16(13-15)21(29)27-19-8-3-2-7-18(19)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyXZXSHEPFAJAUKE-UHFFFAOYSA-N
XLogP5.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
3-N-phenyl-5-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107800
4-methyl-N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 22781682
1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109054164
1-N-[2-(dimethylamino)ethyl]-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053233
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
4-methyl-N-[4-[2-oxo-1-phenyl-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 21167460
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
N-phenyl-3-[4-[[2-(trifluoromethyl)anilino]carbamoyl]anilino]benzamide
CID 139914006
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (CID 109056986) is 1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1.
What is the InChIKey of 1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is XZXSHEPFAJAUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c1-14-9-11-17(12-10-14)26-20(28)15-5-4-6-16(13-15)21(29)27-19-8-3-2-7-18(19)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29).
What are the key properties of 1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 398.38 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).