N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide

C13H17F2NO2 — CID 79201225

IUPACN-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO2/c1-8(17)3-6-13(18)16-9(2)11-7-10(14)4-5-12(11)15/h4-5,7-9,17H,3,6H2,1-2H3,(H,16,18)
InChIKeyXDNKSGNBPWBPFU-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.30
Rot. Bonds5

About N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide

N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide (PubChem CID 79201225) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
PubChem CID79201225
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO2/c1-8(17)3-6-13(18)16-9(2)11-7-10(14)4-5-12(11)15/h4-5,7-9,17H,3,6H2,1-2H3,(H,16,18)
InChIKeyXDNKSGNBPWBPFU-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide
CID 46591216
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368
2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 60843573
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195587
2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide
CID 43699624
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide
CID 114327764
2-[1-(2,5-difluorophenyl)ethylamino]acetamide
CID 16773661
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 55126066
(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 79025345
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 177351939

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide (CID 79201225) is N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide is CC(O)CCC(=O)NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide?
The InChIKey is XDNKSGNBPWBPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-8(17)3-6-13(18)16-9(2)11-7-10(14)4-5-12(11)15/h4-5,7-9,17H,3,6H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide?
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide has a molecular weight of 257.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide is sourced from PubChem (CID 79201225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).