N,N'-bis(3-fluorophenyl)propanediamide

C15H12F2N2O2 — CID 677922

IUPACN,N'-bis(3-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1cccc(F)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H12F2N2O2/c16-10-3-1-5-12(7-10)18-14(20)9-15(21)19-13-6-2-4-11(17)8-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyVRSDZQNNHVVJSS-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.93
Rot. Bonds4

About N,N'-bis(3-fluorophenyl)propanediamide

N,N'-bis(3-fluorophenyl)propanediamide (PubChem CID 677922) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is N,N'-bis(3-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(3-fluorophenyl)propanediamide
PubChem CID677922
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC NameN,N'-bis(3-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1cccc(F)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H12F2N2O2/c16-10-3-1-5-12(7-10)18-14(20)9-15(21)19-13-6-2-4-11(17)8-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyVRSDZQNNHVVJSS-UHFFFAOYSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-fluorophenyl)propanediamide?
The IUPAC name of N,N'-bis(3-fluorophenyl)propanediamide (CID 677922) is N,N'-bis(3-fluorophenyl)propanediamide.
What is the SMILES notation for N,N'-bis(3-fluorophenyl)propanediamide?
The canonical SMILES for N,N'-bis(3-fluorophenyl)propanediamide is O=C(CC(=O)Nc1cccc(F)c1)Nc1cccc(F)c1.
What is the InChIKey of N,N'-bis(3-fluorophenyl)propanediamide?
The InChIKey is VRSDZQNNHVVJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c16-10-3-1-5-12(7-10)18-14(20)9-15(21)19-13-6-2-4-11(17)8-13/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of N,N'-bis(3-fluorophenyl)propanediamide?
N,N'-bis(3-fluorophenyl)propanediamide has a molecular weight of 290.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-fluorophenyl)propanediamide is sourced from PubChem (CID 677922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).