N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide

C13H18FNO2 — CID 143845949

IUPACN-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide
SMILESCCN(C)C(=O)CC(CO)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-15(2)13(17)8-11(9-16)10-4-6-12(14)7-5-10/h4-7,11,16H,3,8-9H2,1-2H3
InChIKeyKFCMAIAQMFCCGS-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.77
Rot. Bonds5

About N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide

N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide (PubChem CID 143845949) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide
PubChem CID143845949
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide
SMILESCCN(C)C(=O)CC(CO)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-15(2)13(17)8-11(9-16)10-4-6-12(14)7-5-10/h4-7,11,16H,3,8-9H2,1-2H3
InChIKeyKFCMAIAQMFCCGS-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide?
The IUPAC name of N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide (CID 143845949) is N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide?
The canonical SMILES for N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide is CCN(C)C(=O)CC(CO)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide?
The InChIKey is KFCMAIAQMFCCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-15(2)13(17)8-11(9-16)10-4-6-12(14)7-5-10/h4-7,11,16H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide?
N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide has a molecular weight of 239.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 143845949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).