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

C17H16F2N2O2 — CID 108946367

IUPACN,N'-bis[(4-fluorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)NCc1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O2/c18-14-5-1-12(2-6-14)10-20-16(22)9-17(23)21-11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyXBTSFEXTBVPCRI-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.29
Rot. Bonds6

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

N,N'-bis[(4-fluorophenyl)methyl]propanediamide (PubChem CID 108946367) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N,N'-bis[(4-fluorophenyl)methyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-fluorophenyl)methyl]propanediamide
PubChem CID108946367
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN,N'-bis[(4-fluorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)NCc1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O2/c18-14-5-1-12(2-6-14)10-20-16(22)9-17(23)21-11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyXBTSFEXTBVPCRI-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-bis[(4-fluorophenyl)methyl]propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(benzoylamino)propyl]benzamide
CID 255782
ChiRYun
CID 389617
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
n,n'-Dibenzylmalonamide
CID 735256
N,N'-Dibenzyloxamide
CID 219253
Acetoacetobenzylamide
CID 70159
Ksp-IA
CID 24901494
N-Benzylcinnamamide
CID 910211
N,1-dibenzyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 571691
N,N'-Diphenethyl-malonamide
CID 2404841
N-Benzyl-3-(4-phenyl-1,2,3,6-tetrahydropyridino)-propionamide
CID 285516
3-Benzylaminopropionamide
CID 85451

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-fluorophenyl)methyl]propanediamide?
The IUPAC name of N,N'-bis[(4-fluorophenyl)methyl]propanediamide (CID 108946367) is N,N'-bis[(4-fluorophenyl)methyl]propanediamide.
What is the SMILES notation for N,N'-bis[(4-fluorophenyl)methyl]propanediamide?
The canonical SMILES for N,N'-bis[(4-fluorophenyl)methyl]propanediamide is O=C(CC(=O)NCc1ccc(F)cc1)NCc1ccc(F)cc1.
What is the InChIKey of N,N'-bis[(4-fluorophenyl)methyl]propanediamide?
The InChIKey is XBTSFEXTBVPCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-14-5-1-12(2-6-14)10-20-16(22)9-17(23)21-11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis[(4-fluorophenyl)methyl]propanediamide?
N,N'-bis[(4-fluorophenyl)methyl]propanediamide has a molecular weight of 318.32 g/mol, XLogP of 2.29, 6 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]propanediamide is sourced from PubChem (CID 108946367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).