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

C13H20ClFN2O — CID 119675755

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCc1ccc(F)cc1.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-15-9-2-3-13(17)16-10-8-11-4-6-12(14)7-5-11;/h4-7,15H,2-3,8-10H2,1H3,(H,16,17);1H
InChIKeyZMCAWJLQSPCRNF-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.91
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119675755) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119675755
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCc1ccc(F)cc1.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-15-9-2-3-13(17)16-10-8-11-4-6-12(14)7-5-11;/h4-7,15H,2-3,8-10H2,1H3,(H,16,17);1H
InChIKeyZMCAWJLQSPCRNF-UHFFFAOYSA-N
XLogP1.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
CID 119896354
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride (CID 119675755) is N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCCc1ccc(F)cc1.Cl.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is ZMCAWJLQSPCRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O.ClH/c1-15-9-2-3-13(17)16-10-8-11-4-6-12(14)7-5-11;/h4-7,15H,2-3,8-10H2,1H3,(H,16,17);1H.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 274.77 g/mol, XLogP of 1.91, 7 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]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119675755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).