N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide

C13H18FNO2 — CID 115186683

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-2-11(9-16)13(17)15-8-7-10-3-5-12(14)6-4-10/h3-6,11,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyKJLWGVUOBUECOP-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.50
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide

N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide (PubChem CID 115186683) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
PubChem CID115186683
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-2-11(9-16)13(17)15-8-7-10-3-5-12(14)6-4-10/h3-6,11,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyKJLWGVUOBUECOP-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186704
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186690
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186693
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186785
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
2-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylbutanoic acid
CID 115186267
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115187033
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide (CID 115186683) is N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide is CCC(CO)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide?
The InChIKey is KJLWGVUOBUECOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-2-11(9-16)13(17)15-8-7-10-3-5-12(14)6-4-10/h3-6,11,16H,2,7-9H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide?
N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide has a molecular weight of 239.29 g/mol, XLogP of 1.50, 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)ethyl]-2-(hydroxymethyl)butanamide is sourced from PubChem (CID 115186683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).