N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide

C14H17F2NO2 — CID 115176980

IUPACN-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide
SMILESCC(=O)CCC(=O)N(C)CCc1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2NO2/c1-10(18)3-6-14(19)17(2)8-7-11-4-5-12(15)13(16)9-11/h4-5,9H,3,6-8H2,1-2H3
InChIKeyKFSVBHUFPMHULR-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.33
Rot. Bonds6

About N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide

N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide (PubChem CID 115176980) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide
PubChem CID115176980
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC NameN-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide
SMILESCC(=O)CCC(=O)N(C)CCc1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2NO2/c1-10(18)3-6-14(19)17(2)8-7-11-4-5-12(15)13(16)9-11/h4-5,9H,3,6-8H2,1-2H3
InChIKeyKFSVBHUFPMHULR-UHFFFAOYSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-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

N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 115190351
methyl 2-[3-(3,4-difluorophenyl)propanoyl-methylamino]acetate
CID 43431151
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
CID 119659377
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
CID 115162206
methyl 3-[2-(3,4-difluorophenyl)ethyl-methylamino]propanoate
CID 115232572
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
4-[2-(4-ethoxy-3-fluorophenyl)ethyl-methylamino]butan-2-one
CID 115236051
N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide
CID 126710768
N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197450
N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195073

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide (CID 115176980) is N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide is CC(=O)CCC(=O)N(C)CCc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide?
The InChIKey is KFSVBHUFPMHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-10(18)3-6-14(19)17(2)8-7-11-4-5-12(15)13(16)9-11/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide?
N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide has a molecular weight of 269.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide is sourced from PubChem (CID 115176980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).