N,N'-bis[(4-fluorophenyl)methyl]pentanediamide

C19H20F2N2O2 — CID 2165956

IUPACN,N'-bis[(4-fluorophenyl)methyl]pentanediamide
SMILESO=C(CCCC(=O)NCc1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C19H20F2N2O2/c20-16-8-4-14(5-9-16)12-22-18(24)2-1-3-19(25)23-13-15-6-10-17(21)11-7-15/h4-11H,1-3,12-13H2,(H,22,24)(H,23,25)
InChIKeyFLIIPQHKIOZIAF-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.07
Rot. Bonds8

About N,N'-bis[(4-fluorophenyl)methyl]pentanediamide

N,N'-bis[(4-fluorophenyl)methyl]pentanediamide (PubChem CID 2165956) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N,N'-bis[(4-fluorophenyl)methyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-fluorophenyl)methyl]pentanediamide
PubChem CID2165956
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN,N'-bis[(4-fluorophenyl)methyl]pentanediamide
SMILESO=C(CCCC(=O)NCc1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C19H20F2N2O2/c20-16-8-4-14(5-9-16)12-22-18(24)2-1-3-19(25)23-13-15-6-10-17(21)11-7-15/h4-11H,1-3,12-13H2,(H,22,24)(H,23,25)
InChIKeyFLIIPQHKIOZIAF-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-fluorophenyl)methyl]pentanediamide?
The IUPAC name of N,N'-bis[(4-fluorophenyl)methyl]pentanediamide (CID 2165956) is N,N'-bis[(4-fluorophenyl)methyl]pentanediamide.
What is the SMILES notation for N,N'-bis[(4-fluorophenyl)methyl]pentanediamide?
The canonical SMILES for N,N'-bis[(4-fluorophenyl)methyl]pentanediamide is O=C(CCCC(=O)NCc1ccc(F)cc1)NCc1ccc(F)cc1.
What is the InChIKey of N,N'-bis[(4-fluorophenyl)methyl]pentanediamide?
The InChIKey is FLIIPQHKIOZIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-16-8-4-14(5-9-16)12-22-18(24)2-1-3-19(25)23-13-15-6-10-17(21)11-7-15/h4-11H,1-3,12-13H2,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis[(4-fluorophenyl)methyl]pentanediamide?
N,N'-bis[(4-fluorophenyl)methyl]pentanediamide has a molecular weight of 346.38 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-fluorophenyl)methyl]pentanediamide is sourced from PubChem (CID 2165956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).