2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide

C11H15FN2O — CID 147045544

IUPAC2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide
SMILESCNCC(C(=O)NC)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-13-7-10(11(15)14-2)8-3-5-9(12)6-4-8/h3-6,10,13H,7H2,1-2H3,(H,14,15)
InChIKeyBAHHBGOTMHZGGB-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.87
Rot. Bonds4

About 2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide

2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide (PubChem CID 147045544) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide
PubChem CID147045544
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide
SMILESCNCC(C(=O)NC)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-13-7-10(11(15)14-2)8-3-5-9(12)6-4-8/h3-6,10,13H,7H2,1-2H3,(H,14,15)
InChIKeyBAHHBGOTMHZGGB-UHFFFAOYSA-N
XLogP0.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 138627524
2-chloro-2-(4-fluorophenyl)-N-methylacetamide
CID 10352801
4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide
CID 119744059
3-(4-fluorophenyl)-4-(methylamino)butan-1-ol
CID 59012185
3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid
CID 155055621
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724736
4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide
CID 112516304
3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride
CID 120616335
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
methyl 2-(4-fluorophenyl)-3-sulfanylpropanoate
CID 117245362
3-(4-fluorophenyl)-4-(methylamino)butanal
CID 59011239

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide (CID 147045544) is 2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide is CNCC(C(=O)NC)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide?
The InChIKey is BAHHBGOTMHZGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-13-7-10(11(15)14-2)8-3-5-9(12)6-4-8/h3-6,10,13H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide?
2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide has a molecular weight of 210.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 147045544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).