3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide

C22H19FN2O2 — CID 109054548

IUPAC3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C22H19FN2O2/c1-25(15-16-6-3-2-4-7-16)22(27)18-9-5-8-17(14-18)21(26)24-20-12-10-19(23)11-13-20/h2-14H,15H2,1H3,(H,24,26)
InChIKeyICUDOPFMUSRGFE-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.35
Rot. Bonds5

About 3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide

3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 109054548) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID109054548
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C22H19FN2O2/c1-25(15-16-6-3-2-4-7-16)22(27)18-9-5-8-17(14-18)21(26)24-20-12-10-19(23)11-13-20/h2-14H,15H2,1H3,(H,24,26)
InChIKeyICUDOPFMUSRGFE-UHFFFAOYSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054542
3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054502
3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide
CID 26162821
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide (CID 109054548) is 3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide is CN(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is ICUDOPFMUSRGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-25(15-16-6-3-2-4-7-16)22(27)18-9-5-8-17(14-18)21(26)24-20-12-10-19(23)11-13-20/h2-14H,15H2,1H3,(H,24,26).
What are the key properties of 3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide?
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 362.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109054548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).