4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide

C23H18FN3O2 — CID 109047977

IUPAC4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(C(=O)NCCc3ccccc3F)cc2)cc1
InChIInChI=1S/C23H18FN3O2/c24-21-4-2-1-3-17(21)13-14-26-22(28)18-7-9-19(10-8-18)23(29)27-20-11-5-16(15-25)6-12-20/h1-12H,13-14H2,(H,26,28)(H,27,29)
InChIKeyJIWOUFWHOMKXLT-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.92
Rot. Bonds6

About 4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide

4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 109047977) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
PubChem CID109047977
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(C(=O)NCCc3ccccc3F)cc2)cc1
InChIInChI=1S/C23H18FN3O2/c24-21-4-2-1-3-17(21)13-14-26-22(28)18-7-9-19(10-8-18)23(29)27-20-11-5-16(15-25)6-12-20/h1-12H,13-14H2,(H,26,28)(H,27,29)
InChIKeyJIWOUFWHOMKXLT-UHFFFAOYSA-N
XLogP3.92
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
1-N-[(2-chlorophenyl)methyl]-4-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109047331
3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055404
4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045241
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055398
1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047971
6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098571
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948356

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide (CID 109047977) is 4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide is N#Cc1ccc(NC(=O)c2ccc(C(=O)NCCc3ccccc3F)cc2)cc1.
What is the InChIKey of 4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is JIWOUFWHOMKXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-21-4-2-1-3-17(21)13-14-26-22(28)18-7-9-19(10-8-18)23(29)27-20-11-5-16(15-25)6-12-20/h1-12H,13-14H2,(H,26,28)(H,27,29).
What are the key properties of 4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide?
4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 387.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).