N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide

C12H12F2N2O2 — CID 108941329

IUPACN'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O2/c1-2-5-15-11(17)7-12(18)16-10-4-3-8(13)6-9(10)14/h2-4,6H,1,5,7H2,(H,15,17)(H,16,18)
InChIKeyPOYLNJFTLQJOSF-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.60
Rot. Bonds5

About N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide

N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide (PubChem CID 108941329) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
PubChem CID108941329
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O2/c1-2-5-15-11(17)7-12(18)16-10-4-3-8(13)6-9(10)14/h2-4,6H,1,5,7H2,(H,15,17)(H,16,18)
InChIKeyPOYLNJFTLQJOSF-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
N'-(2,4-difluorophenyl)-N-propylpropanediamide
CID 108940750
N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 52644992
N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide
CID 3648870
N-(2,4-difluorophenyl)prop-2-enamide
CID 23202681
2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 51192153
2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-prop-2-enylacetamide
CID 18571047
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
N'-(2,5-difluorophenyl)-N-prop-2-enyloxamide
CID 7585077
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide (CID 108941329) is N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide is C=CCNC(=O)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide?
The InChIKey is POYLNJFTLQJOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-2-5-15-11(17)7-12(18)16-10-4-3-8(13)6-9(10)14/h2-4,6H,1,5,7H2,(H,15,17)(H,16,18).
What are the key properties of N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide?
N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide has a molecular weight of 254.24 g/mol, XLogP of 1.60, 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-prop-2-enylpropanediamide is sourced from PubChem (CID 108941329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).