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

C22H17F3N2O2 — CID 109046923

IUPAC1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2)c1
InChIInChI=1S/C22H17F3N2O2/c1-13-3-2-4-14(11-13)12-26-21(28)15-5-7-16(8-6-15)22(29)27-18-10-9-17(23)19(24)20(18)25/h2-11H,12H2,1H3,(H,26,28)(H,27,29)
InChIKeyGOCHABZYOZSNKK-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.59
Rot. Bonds5

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

1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109046923) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109046923
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2)c1
InChIInChI=1S/C22H17F3N2O2/c1-13-3-2-4-14(11-13)12-26-21(28)15-5-7-16(8-6-15)22(29)27-18-10-9-17(23)19(24)20(18)25/h2-11H,12H2,1H3,(H,26,28)(H,27,29)
InChIKeyGOCHABZYOZSNKK-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046917
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109105080
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
1-N-(furan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046656
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992174
5-N-(2,4-dimethylphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105208
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054323

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide (CID 109046923) is 1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide is Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2)c1.
What is the InChIKey of 1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is GOCHABZYOZSNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c1-13-3-2-4-14(11-13)12-26-21(28)15-5-7-16(8-6-15)22(29)27-18-10-9-17(23)19(24)20(18)25/h2-11H,12H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 398.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).