N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide

C15H11F3N2O2 — CID 108954847

IUPACN'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1
InChIInChI=1S/C15H11F3N2O2/c16-9-1-4-11(5-2-9)19-14(21)8-15(22)20-13-6-3-10(17)7-12(13)18/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyRRQWCZRSMREHCM-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.07
Rot. Bonds4

About N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide

N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide (PubChem CID 108954847) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
PubChem CID108954847
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC NameN'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1
InChIInChI=1S/C15H11F3N2O2/c16-9-1-4-11(5-2-9)19-14(21)8-15(22)20-13-6-3-10(17)7-12(13)18/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyRRQWCZRSMREHCM-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.07
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'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
CID 108941329
N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 4818872
N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide
CID 3648870
N'-(2,4-difluorophenyl)-N-propylpropanediamide
CID 108940750
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968827
N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide
CID 108954543
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide (CID 108954847) is N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide is O=C(CC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide?
The InChIKey is RRQWCZRSMREHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-9-1-4-11(5-2-9)19-14(21)8-15(22)20-13-6-3-10(17)7-12(13)18/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide?
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide has a molecular weight of 308.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 108954847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).