N,N'-dibenzyl-2-fluoropropanediamide

C17H17FN2O2 — CID 154174652

IUPACN,N'-dibenzyl-2-fluoropropanediamide
SMILESO=C(NCc1ccccc1)C(F)C(=O)NCc1ccccc1
InChIInChI=1S/C17H17FN2O2/c18-15(16(21)19-11-13-7-3-1-4-8-13)17(22)20-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21)(H,20,22)
InChIKeyLFDUYMYZZINWSL-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.96
Rot. Bonds6

About N,N'-dibenzyl-2-fluoropropanediamide

N,N'-dibenzyl-2-fluoropropanediamide (PubChem CID 154174652) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N,N'-dibenzyl-2-fluoropropanediamide.

Molecular Properties

Compound NameN,N'-dibenzyl-2-fluoropropanediamide
PubChem CID154174652
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN,N'-dibenzyl-2-fluoropropanediamide
SMILESO=C(NCc1ccccc1)C(F)C(=O)NCc1ccccc1
InChIInChI=1S/C17H17FN2O2/c18-15(16(21)19-11-13-7-3-1-4-8-13)17(22)20-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21)(H,20,22)
InChIKeyLFDUYMYZZINWSL-UHFFFAOYSA-N
XLogP1.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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ChiRYun
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Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-2-fluoropropanediamide?
The IUPAC name of N,N'-dibenzyl-2-fluoropropanediamide (CID 154174652) is N,N'-dibenzyl-2-fluoropropanediamide.
What is the SMILES notation for N,N'-dibenzyl-2-fluoropropanediamide?
The canonical SMILES for N,N'-dibenzyl-2-fluoropropanediamide is O=C(NCc1ccccc1)C(F)C(=O)NCc1ccccc1.
What is the InChIKey of N,N'-dibenzyl-2-fluoropropanediamide?
The InChIKey is LFDUYMYZZINWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-15(16(21)19-11-13-7-3-1-4-8-13)17(22)20-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21)(H,20,22).
What are the key properties of N,N'-dibenzyl-2-fluoropropanediamide?
N,N'-dibenzyl-2-fluoropropanediamide has a molecular weight of 300.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-2-fluoropropanediamide is sourced from PubChem (CID 154174652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).