2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide

C13H15FN2O — CID 116677578

IUPAC2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)c1ccc(F)cc1)=C1CNC1
InChIInChI=1S/C13H15FN2O/c1-9(10-7-15-8-10)13(17)16(2)12-5-3-11(14)4-6-12/h3-6,15H,7-8H2,1-2H3
InChIKeyUMBJBKHYELLNHB-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.71
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide

2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide (PubChem CID 116677578) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide
PubChem CID116677578
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)c1ccc(F)cc1)=C1CNC1
InChIInChI=1S/C13H15FN2O/c1-9(10-7-15-8-10)13(17)16(2)12-5-3-11(14)4-6-12/h3-6,15H,7-8H2,1-2H3
InChIKeyUMBJBKHYELLNHB-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluoro-N-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992368
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 116677915
N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
CID 116674814
2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 116677655
N-(4-fluorophenyl)-N-methyl-2-(methylamino)propanamide
CID 62639733
3-[N-[2-(azetidin-3-ylidene)propanoyl]anilino]propanoic acid
CID 116677005
N-(4-fluorophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
CID 126781555
N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80550035
(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103809324
2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
CID 166249701
N-(4-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150778

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide (CID 116677578) is 2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide is CC(C(=O)N(C)c1ccc(F)cc1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide?
The InChIKey is UMBJBKHYELLNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-9(10-7-15-8-10)13(17)16(2)12-5-3-11(14)4-6-12/h3-6,15H,7-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide?
2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide has a molecular weight of 234.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 116677578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).