4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride

C15H22ClFN2O2 — CID 120832487

IUPAC4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
SMILESCNC(C)CNC(=O)CC(C)C(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-10(7-14(19)18-9-11(2)17-3)15(20)12-5-4-6-13(16)8-12;/h4-6,8,10-11,17H,7,9H2,1-3H3,(H,18,19);1H
InChIKeyAOEKXAQZGWMRSX-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.18
Rot. Bonds7

About 4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride

4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride (PubChem CID 120832487) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
PubChem CID120832487
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC Name4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
SMILESCNC(C)CNC(=O)CC(C)C(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-10(7-14(19)18-9-11(2)17-3)15(20)12-5-4-6-13(16)8-12;/h4-6,8,10-11,17H,7,9H2,1-3H3,(H,18,19);1H
InChIKeyAOEKXAQZGWMRSX-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 120654075
2-[[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]amino]acetic acid
CID 119350223
N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride
CID 119626886
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 119525803
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 95904870
2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120831286
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556045
N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 120829828
4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120600948
3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide
CID 120832621

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
The IUPAC name of 4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride (CID 120832487) is 4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
The canonical SMILES for 4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride is CNC(C)CNC(=O)CC(C)C(=O)c1cccc(F)c1.Cl.
What is the InChIKey of 4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
The InChIKey is AOEKXAQZGWMRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2.ClH/c1-10(7-14(19)18-9-11(2)17-3)15(20)12-5-4-6-13(16)8-12;/h4-6,8,10-11,17H,7,9H2,1-3H3,(H,18,19);1H.
What are the key properties of 4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride has a molecular weight of 316.80 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 120832487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).