5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide

C13H15F2NO2 — CID 94271165

IUPAC5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide
SMILESCCNC(=O)CCCC(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H15F2NO2/c1-2-16-13(18)5-3-4-12(17)10-8-9(14)6-7-11(10)15/h6-8H,2-5H2,1H3,(H,16,18)
InChIKeyNHGWMSGUKSKYCM-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.45
Rot. Bonds6

About 5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide

5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide (PubChem CID 94271165) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide
PubChem CID94271165
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide
SMILESCCNC(=O)CCCC(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H15F2NO2/c1-2-16-13(18)5-3-4-12(17)10-8-9(14)6-7-11(10)15/h6-8H,2-5H2,1H3,(H,16,18)
InChIKeyNHGWMSGUKSKYCM-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide 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

1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
1-(2,5-difluorophenyl)-4-hydroxybutan-1-one
CID 70946452
4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide
CID 82115206
4-chloro-1-(2,5-difluorophenyl)butan-1-one
CID 175501852
1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
CID 82112284
1-(2,5-difluorophenyl)-3-methylbut-3-en-1-one
CID 79177351
1-(5-chloro-2-fluorophenyl)pentan-1-one
CID 83988319
[3-(ethylamino)-3-oxopropyl] 2-amino-5-fluorobenzoate
CID 62325208
3-(2,5-difluorophenyl)-3-oxopropanal
CID 43114709
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide
CID 62325539
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide?
The IUPAC name of 5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide (CID 94271165) is 5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide.
What is the SMILES notation for 5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide?
The canonical SMILES for 5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide is CCNC(=O)CCCC(=O)c1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide?
The InChIKey is NHGWMSGUKSKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-2-16-13(18)5-3-4-12(17)10-8-9(14)6-7-11(10)15/h6-8H,2-5H2,1H3,(H,16,18).
What are the key properties of 5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide?
5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide has a molecular weight of 255.26 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide is sourced from PubChem (CID 94271165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).