3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide

C23H21FN2O2 — CID 109054502

IUPAC3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C23H21FN2O2/c1-26(16-17-8-3-2-4-9-17)23(28)19-12-7-11-18(14-19)22(27)25-15-20-10-5-6-13-21(20)24/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyYFVNRBNNPATADJ-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.03
Rot. Bonds6

About 3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide

3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 109054502) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID109054502
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C23H21FN2O2/c1-26(16-17-8-3-2-4-9-17)23(28)19-12-7-11-18(14-19)22(27)25-15-20-10-5-6-13-21(20)24/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyYFVNRBNNPATADJ-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109052503
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054542
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide (CID 109054502) is 3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide is CN(Cc1ccccc1)C(=O)c1cccc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is YFVNRBNNPATADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-26(16-17-8-3-2-4-9-17)23(28)19-12-7-11-18(14-19)22(27)25-15-20-10-5-6-13-21(20)24/h2-14H,15-16H2,1H3,(H,25,27).
What are the key properties of 3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 376.43 g/mol, XLogP of 4.03, 6 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-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109054502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).