4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide

C23H18FN3O2 — CID 178070523

IUPAC4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O2/c1-27(15-17-4-2-16(14-25)3-5-17)23(29)19-8-6-18(7-9-19)22(28)26-21-12-10-20(24)11-13-21/h2-13H,15H2,1H3,(H,26,28)
InChIKeyIUWRTJLQAHDEFN-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.22
Rot. Bonds5

About 4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide

4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 178070523) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID178070523
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H18FN3O2/c1-27(15-17-4-2-16(14-25)3-5-17)23(29)19-8-6-18(7-9-19)22(28)26-21-12-10-20(24)11-13-21/h2-13H,15H2,1H3,(H,26,28)
InChIKeyIUWRTJLQAHDEFN-UHFFFAOYSA-N
XLogP4.22
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 178070557
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048122
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide
CID 91650026
N-(3-amino-2,2-dimethylpropyl)-N-[(4-benzamidophenyl)methyl]-4-cyanobenzamide
CID 23824787
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide (CID 178070523) is 4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide is CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is IUWRTJLQAHDEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-27(15-17-4-2-16(14-25)3-5-17)23(29)19-8-6-18(7-9-19)22(28)26-21-12-10-20(24)11-13-21/h2-13H,15H2,1H3,(H,26,28).
What are the key properties of 4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide?
4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 178070523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).