4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide

C21H15F3N2O2 — CID 109049340

IUPAC4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C21H15F3N2O2/c1-12-4-2-3-5-16(12)25-20(27)13-6-8-14(9-7-13)21(28)26-17-11-10-15(22)18(23)19(17)24/h2-11H,1H3,(H,25,27)(H,26,28)
InChIKeyAVIQAGYPMUWETL-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.92
Rot. Bonds4

About 4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide

4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109049340) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109049340
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C21H15F3N2O2/c1-12-4-2-3-5-16(12)25-20(27)13-6-8-14(9-7-13)21(28)26-17-11-10-15(22)18(23)19(17)24/h2-11H,1H3,(H,25,27)(H,26,28)
InChIKeyAVIQAGYPMUWETL-UHFFFAOYSA-N
XLogP4.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
2-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265472
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
4-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
5-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109241821
N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109241729
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide
CID 62237967

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide (CID 109049340) is 4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide is Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is AVIQAGYPMUWETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c1-12-4-2-3-5-16(12)25-20(27)13-6-8-14(9-7-13)21(28)26-17-11-10-15(22)18(23)19(17)24/h2-11H,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 384.36 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).