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

C12H18ClFN2O — CID 119679682

IUPACN-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1ccccc1F.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-14-8-4-7-12(16)15-9-10-5-2-3-6-11(10)13;/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16);1H
InChIKeyLUGNGWAOZFYQCC-UHFFFAOYSA-N
MW260.74 g/mol
LogP1.86
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119679682) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119679682
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1ccccc1F.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-14-8-4-7-12(16)15-9-10-5-2-3-6-11(10)13;/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16);1H
InChIKeyLUGNGWAOZFYQCC-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60851811
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119754849
6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777786
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119751202
4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500
N-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide
CID 119813926
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride (CID 119679682) is N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCc1ccccc1F.Cl.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is LUGNGWAOZFYQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O.ClH/c1-14-8-4-7-12(16)15-9-10-5-2-3-6-11(10)13;/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16);1H.
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 260.74 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119679682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).