N,N'-bis(3,4-difluorophenyl)propanediamide

C15H10F4N2O2 — CID 108956967

IUPACN,N'-bis(3,4-difluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)c(F)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H10F4N2O2/c16-10-3-1-8(5-12(10)18)20-14(22)7-15(23)21-9-2-4-11(17)13(19)6-9/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKeyIJRNHXUFKSGWIB-UHFFFAOYSA-N
MW326.25 g/mol
LogP3.21
Rot. Bonds4

About N,N'-bis(3,4-difluorophenyl)propanediamide

N,N'-bis(3,4-difluorophenyl)propanediamide (PubChem CID 108956967) has the molecular formula C15H10F4N2O2 and a molecular weight of 326.25 g/mol. Its IUPAC name is N,N'-bis(3,4-difluorophenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(3,4-difluorophenyl)propanediamide
PubChem CID108956967
Molecular FormulaC15H10F4N2O2
Molecular Weight326.25 g/mol
Exact Mass326.07
IUPAC NameN,N'-bis(3,4-difluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)c(F)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H10F4N2O2/c16-10-3-1-8(5-12(10)18)20-14(22)7-15(23)21-9-2-4-11(17)13(19)6-9/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKeyIJRNHXUFKSGWIB-UHFFFAOYSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 53.21
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

N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940959
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N-(3,4-difluorophenyl)propanamide
CID 4285365
N'-butan-2-yl-N-(3,4-difluorophenyl)propanediamide
CID 108941925
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956631
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
N'-(3,4-difluorophenyl)-N-pentylpropanediamide
CID 108951995
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
methyl 3-[[3-(3,4-difluoroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956359
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
CID 108956825

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3,4-difluorophenyl)propanediamide?
The IUPAC name of N,N'-bis(3,4-difluorophenyl)propanediamide (CID 108956967) is N,N'-bis(3,4-difluorophenyl)propanediamide.
What is the SMILES notation for N,N'-bis(3,4-difluorophenyl)propanediamide?
The canonical SMILES for N,N'-bis(3,4-difluorophenyl)propanediamide is O=C(CC(=O)Nc1ccc(F)c(F)c1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N,N'-bis(3,4-difluorophenyl)propanediamide?
The InChIKey is IJRNHXUFKSGWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O2/c16-10-3-1-8(5-12(10)18)20-14(22)7-15(23)21-9-2-4-11(17)13(19)6-9/h1-6H,7H2,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis(3,4-difluorophenyl)propanediamide?
N,N'-bis(3,4-difluorophenyl)propanediamide has a molecular weight of 326.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3,4-difluorophenyl)propanediamide is sourced from PubChem (CID 108956967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).