N'-(2,4-difluorophenyl)-N-propylpropanediamide

C12H14F2N2O2 — CID 108940750

IUPACN'-(2,4-difluorophenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O2/c1-2-5-15-11(17)7-12(18)16-10-4-3-8(13)6-9(10)14/h3-4,6H,2,5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyBKTLYYJPXQQWRN-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.82
Rot. Bonds5

About N'-(2,4-difluorophenyl)-N-propylpropanediamide

N'-(2,4-difluorophenyl)-N-propylpropanediamide (PubChem CID 108940750) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-propylpropanediamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-propylpropanediamide
PubChem CID108940750
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC NameN'-(2,4-difluorophenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O2/c1-2-5-15-11(17)7-12(18)16-10-4-3-8(13)6-9(10)14/h3-4,6H,2,5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyBKTLYYJPXQQWRN-UHFFFAOYSA-N
XLogP1.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.82
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

2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302840
N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108940771
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
CID 108941329
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide
CID 108954543
1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970362
N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108949762
N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide
CID 3648870
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-propylpropanediamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-propylpropanediamide (CID 108940750) is N'-(2,4-difluorophenyl)-N-propylpropanediamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-propylpropanediamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-propylpropanediamide is CCCNC(=O)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-propylpropanediamide?
The InChIKey is BKTLYYJPXQQWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-2-5-15-11(17)7-12(18)16-10-4-3-8(13)6-9(10)14/h3-4,6H,2,5,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2,4-difluorophenyl)-N-propylpropanediamide?
N'-(2,4-difluorophenyl)-N-propylpropanediamide has a molecular weight of 256.25 g/mol, XLogP of 1.82, 5 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-propylpropanediamide is sourced from PubChem (CID 108940750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).