N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide

C13H18FNO2 — CID 110888909

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
SMILESCCCCC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-2-3-4-13(17)15-9-12(16)10-5-7-11(14)8-6-10/h5-8,12,16H,2-4,9H2,1H3,(H,15,17)
InChIKeyDKMKNJKQOXFIQT-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.17
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide (PubChem CID 110888909) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
PubChem CID110888909
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
SMILESCCCCC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-2-3-4-13(17)15-9-12(16)10-5-7-11(14)8-6-10/h5-8,12,16H,2-4,9H2,1H3,(H,15,17)
InChIKeyDKMKNJKQOXFIQT-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888819
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide
CID 110899045
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide
CID 110911200
3-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888869
N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
CID 74954423
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 110888816
3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 78866814
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
CID 110893315
2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 100764025
N-[2-hydroxy-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]decanamide
CID 177325852
3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 87016892

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide (CID 110888909) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide is CCCCC(=O)NCC(O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide?
The InChIKey is DKMKNJKQOXFIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-2-3-4-13(17)15-9-12(16)10-5-7-11(14)8-6-10/h5-8,12,16H,2-4,9H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide has a molecular weight of 239.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide is sourced from PubChem (CID 110888909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).