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

C20H13F3N2O2 — CID 109049282

IUPAC1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C20H13F3N2O2/c21-15-10-11-16(18(23)17(15)22)25-20(27)13-8-6-12(7-9-13)19(26)24-14-4-2-1-3-5-14/h1-11H,(H,24,26)(H,25,27)
InChIKeyGOSGVTFZZVQZMS-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.61
Rot. Bonds4

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

1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109049282) has the molecular formula C20H13F3N2O2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109049282
Molecular FormulaC20H13F3N2O2
Molecular Weight370.33 g/mol
Exact Mass370.09
IUPAC Name1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C20H13F3N2O2/c21-15-10-11-16(18(23)17(15)22)25-20(27)13-8-6-12(7-9-13)19(26)24-14-4-2-1-3-5-14/h1-11H,(H,24,26)(H,25,27)
InChIKeyGOSGVTFZZVQZMS-UHFFFAOYSA-N
XLogP4.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.61
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-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide
CID 62237967
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265275
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 43038343
4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 102850799
N-(2,3-difluorophenyl)benzamide
CID 139202270
1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108980631
3-benzamido-2,6-difluorobenzamide
CID 152765768
1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108867200
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide (CID 109049282) is 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide is O=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is GOSGVTFZZVQZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O2/c21-15-10-11-16(18(23)17(15)22)25-20(27)13-8-6-12(7-9-13)19(26)24-14-4-2-1-3-5-14/h1-11H,(H,24,26)(H,25,27).
What are the key properties of 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 370.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).