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

C14H22ClFN2O — CID 119739080

IUPACN-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(C)CCc1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-16-10-3-4-14(18)17(2)11-9-12-5-7-13(15)8-6-12;/h5-8,16H,3-4,9-11H2,1-2H3;1H
InChIKeyZVNBFVIMRSJJBJ-UHFFFAOYSA-N
MW288.79 g/mol
LogP2.25
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride (PubChem CID 119739080) has the molecular formula C14H22ClFN2O and a molecular weight of 288.79 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
PubChem CID119739080
Molecular FormulaC14H22ClFN2O
Molecular Weight288.79 g/mol
Exact Mass288.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(C)CCc1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-16-10-3-4-14(18)17(2)11-9-12-5-7-13(15)8-6-12;/h5-8,16H,3-4,9-11H2,1-2H3;1H
InChIKeyZVNBFVIMRSJJBJ-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
3-[2-(4-fluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 115163578
N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide
CID 115153366
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide
CID 115156807
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
CID 119896354
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158335
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119744579
3-amino-N-[2-(4-fluorophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155081
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide
CID 119881664

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride (CID 119739080) is N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)N(C)CCc1ccc(F)cc1.Cl.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride?
The InChIKey is ZVNBFVIMRSJJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O.ClH/c1-16-10-3-4-14(18)17(2)11-9-12-5-7-13(15)8-6-12;/h5-8,16H,3-4,9-11H2,1-2H3;1H.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride?
N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride has a molecular weight of 288.79 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119739080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).