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

C24H23FN2O2 — CID 109054514

IUPAC3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C24H23FN2O2/c1-27(17-18-8-3-2-4-9-18)24(29)21-12-7-11-20(16-21)23(28)26-15-14-19-10-5-6-13-22(19)25/h2-13,16H,14-15,17H2,1H3,(H,26,28)
InChIKeyZSRXQRQTZYCHHX-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.07
Rot. Bonds7

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

3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 109054514) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID109054514
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C24H23FN2O2/c1-27(17-18-8-3-2-4-9-18)24(29)21-12-7-11-20(16-21)23(28)26-15-14-19-10-5-6-13-22(19)25/h2-13,16H,14-15,17H2,1H3,(H,26,28)
InChIKeyZSRXQRQTZYCHHX-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054502
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109052503
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
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
3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055398
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-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055260
3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055404

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide (CID 109054514) is 3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide is CN(Cc1ccccc1)C(=O)c1cccc(C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of 3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is ZSRXQRQTZYCHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-27(17-18-8-3-2-4-9-18)24(29)21-12-7-11-20(16-21)23(28)26-15-14-19-10-5-6-13-22(19)25/h2-13,16H,14-15,17H2,1H3,(H,26,28).
What are the key properties of 3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide?
3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.07, 7 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-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109054514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).