5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide

C24H25FN2O3 — CID 174647720

IUPAC5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide
SMILESCCCc1cc(CCc2ccc(F)cc2)cc(C(=O)NCc2ccco2)c1C(N)=O
InChIInChI=1S/C24H25FN2O3/c1-2-4-18-13-17(7-6-16-8-10-19(25)11-9-16)14-21(22(18)23(26)28)24(29)27-15-20-5-3-12-30-20/h3,5,8-14H,2,4,6-7,15H2,1H3,(H2,26,28)(H,27,29)
InChIKeyZZDYVOXIICETRL-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.19
Rot. Bonds9

About 5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide

5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide (PubChem CID 174647720) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide
PubChem CID174647720
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide
SMILESCCCc1cc(CCc2ccc(F)cc2)cc(C(=O)NCc2ccco2)c1C(N)=O
InChIInChI=1S/C24H25FN2O3/c1-2-4-18-13-17(7-6-16-8-10-19(25)11-9-16)14-21(22(18)23(26)28)24(29)27-15-20-5-3-12-30-20/h3,5,8-14H,2,4,6-7,15H2,1H3,(H2,26,28)(H,27,29)
InChIKeyZZDYVOXIICETRL-UHFFFAOYSA-N
XLogP4.19
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide?
The IUPAC name of 5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide (CID 174647720) is 5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide is CCCc1cc(CCc2ccc(F)cc2)cc(C(=O)NCc2ccco2)c1C(N)=O.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide?
The InChIKey is ZZDYVOXIICETRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-2-4-18-13-17(7-6-16-8-10-19(25)11-9-16)14-21(22(18)23(26)28)24(29)27-15-20-5-3-12-30-20/h3,5,8-14H,2,4,6-7,15H2,1H3,(H2,26,28)(H,27,29).
What are the key properties of 5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide?
5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide has a molecular weight of 408.47 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethyl]-1-N-(furan-2-ylmethyl)-3-propylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 174647720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).