4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide

C23H21FN2O2 — CID 109047191

IUPAC4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C23H21FN2O2/c1-15-6-5-7-16(2)21(15)26-23(28)18-12-10-17(11-13-18)22(27)25-14-19-8-3-4-9-20(19)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCRMWGUANOLNAFS-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.62
Rot. Bonds5

About 4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide

4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 109047191) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID109047191
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C23H21FN2O2/c1-15-6-5-7-16(2)21(15)26-23(28)18-12-10-17(11-13-18)22(27)25-14-19-8-3-4-9-20(19)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCRMWGUANOLNAFS-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054270
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086371
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 113396747
N-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)benzamide
CID 71690177
1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109047196
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide (CID 109047191) is 4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide is Cc1cccc(C)c1NC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is CRMWGUANOLNAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-15-6-5-7-16(2)21(15)26-23(28)18-12-10-17(11-13-18)22(27)25-14-19-8-3-4-9-20(19)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 376.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).