4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride

C13H18ClFN2O2 — CID 119502777

IUPAC4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
SMILESCNCCNC(=O)CCC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H17FN2O2.ClH/c1-15-8-9-16-13(18)7-6-12(17)10-2-4-11(14)5-3-10;/h2-5,15H,6-9H2,1H3,(H,16,18);1H
InChIKeyKWGUYLWFLWYOTL-UHFFFAOYSA-N
MW288.75 g/mol
LogP1.55
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride

4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride (PubChem CID 119502777) has the molecular formula C13H18ClFN2O2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
PubChem CID119502777
Molecular FormulaC13H18ClFN2O2
Molecular Weight288.75 g/mol
Exact Mass288.10
IUPAC Name4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
SMILESCNCCNC(=O)CCC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H17FN2O2.ClH/c1-15-8-9-16-13(18)7-6-12(17)10-2-4-11(14)5-3-10;/h2-5,15H,6-9H2,1H3,(H,16,18);1H
InChIKeyKWGUYLWFLWYOTL-UHFFFAOYSA-N
XLogP1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
CID 108795606
N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110309532
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
4-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119431245
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 119620648
N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110303265

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride (CID 119502777) is 4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride is CNCCNC(=O)CCC(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride?
The InChIKey is KWGUYLWFLWYOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2.ClH/c1-15-8-9-16-13(18)7-6-12(17)10-2-4-11(14)5-3-10;/h2-5,15H,6-9H2,1H3,(H,16,18);1H.
What are the key properties of 4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride?
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride has a molecular weight of 288.75 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119502777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).