4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide

C23H21FN2O2 — CID 109049811

IUPAC4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H21FN2O2/c1-15(2)18-7-3-5-9-20(18)25-22(27)16-11-13-17(14-12-16)23(28)26-21-10-6-4-8-19(21)24/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKeyZNUJYTMDKYPMDV-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.45
Rot. Bonds5

About 4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide

4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049811) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049811
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H21FN2O2/c1-15(2)18-7-3-5-9-20(18)25-22(27)16-11-13-17(14-12-16)23(28)26-21-10-6-4-8-19(21)24/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKeyZNUJYTMDKYPMDV-UHFFFAOYSA-N
XLogP5.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propan-2-ylphenyl)benzamide
CID 723391
1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109047196
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide
CID 47421830
4-(methylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 62185459
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975
2-fluoro-6-hydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 104916685
1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043746
4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide
CID 51179900
1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109045330
2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268366
1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049815

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide (CID 109049811) is 4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide is CC(C)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is ZNUJYTMDKYPMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-15(2)18-7-3-5-9-20(18)25-22(27)16-11-13-17(14-12-16)23(28)26-21-10-6-4-8-19(21)24/h3-15H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 376.43 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).