N-[1-(2,3-difluorophenyl)ethyl]pentanamide

C13H17F2NO — CID 141128931

IUPACN-[1-(2,3-difluorophenyl)ethyl]pentanamide
SMILESCCCCC(=O)NC(C)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO/c1-3-4-8-12(17)16-9(2)10-6-5-7-11(14)13(10)15/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyQALFFDHNRCSWDI-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.33
Rot. Bonds5

About N-[1-(2,3-difluorophenyl)ethyl]pentanamide

N-[1-(2,3-difluorophenyl)ethyl]pentanamide (PubChem CID 141128931) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[1-(2,3-difluorophenyl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[1-(2,3-difluorophenyl)ethyl]pentanamide
PubChem CID141128931
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[1-(2,3-difluorophenyl)ethyl]pentanamide
SMILESCCCCC(=O)NC(C)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO/c1-3-4-8-12(17)16-9(2)10-6-5-7-11(14)13(10)15/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyQALFFDHNRCSWDI-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluorophenyl)ethyl]pentanamide?
The IUPAC name of N-[1-(2,3-difluorophenyl)ethyl]pentanamide (CID 141128931) is N-[1-(2,3-difluorophenyl)ethyl]pentanamide.
What is the SMILES notation for N-[1-(2,3-difluorophenyl)ethyl]pentanamide?
The canonical SMILES for N-[1-(2,3-difluorophenyl)ethyl]pentanamide is CCCCC(=O)NC(C)c1cccc(F)c1F.
What is the InChIKey of N-[1-(2,3-difluorophenyl)ethyl]pentanamide?
The InChIKey is QALFFDHNRCSWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-3-4-8-12(17)16-9(2)10-6-5-7-11(14)13(10)15/h5-7,9H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(2,3-difluorophenyl)ethyl]pentanamide?
N-[1-(2,3-difluorophenyl)ethyl]pentanamide has a molecular weight of 241.28 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-difluorophenyl)ethyl]pentanamide is sourced from PubChem (CID 141128931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).