2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide

C14H16F2N2O2 — CID 116677152

IUPAC2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(OC(F)F)cc1)=C1CNC1
InChIInChI=1S/C14H16F2N2O2/c1-9(11-7-17-8-11)13(19)18-6-10-2-4-12(5-3-10)20-14(15)16/h2-5,14,17H,6-8H2,1H3,(H,18,19)
InChIKeyWLNJPFGAOYABPC-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.82
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide

2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide (PubChem CID 116677152) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
PubChem CID116677152
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(OC(F)F)cc1)=C1CNC1
InChIInChI=1S/C14H16F2N2O2/c1-9(11-7-17-8-11)13(19)18-6-10-2-4-12(5-3-10)20-14(15)16/h2-5,14,17H,6-8H2,1H3,(H,18,19)
InChIKeyWLNJPFGAOYABPC-UHFFFAOYSA-N
XLogP1.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-(azetidin-3-ylidene)propanoylamino]methyl]benzoate
CID 116677224
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 167984017
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
CID 79012907
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide
CID 62839259
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119689663
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47109455
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-enamide
CID 138665511
2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 60703371

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide (CID 116677152) is 2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide is CC(C(=O)NCc1ccc(OC(F)F)cc1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is WLNJPFGAOYABPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-9(11-7-17-8-11)13(19)18-6-10-2-4-12(5-3-10)20-14(15)16/h2-5,14,17H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide?
2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 282.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 116677152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).