N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide

C12H13F2NO3 — CID 15371795

IUPACN-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide
SMILESCOCO/C=C(\NC(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C12H13F2NO3/c1-8(16)15-12(6-18-7-17-2)10-4-3-9(13)5-11(10)14/h3-6H,7H2,1-2H3,(H,15,16)/b12-6-
InChIKeyILTYONDOUPCDPW-SDQBBNPISA-N
MW257.24 g/mol
LogP2.02
Rot. Bonds5

About N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide

N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide (PubChem CID 15371795) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide
PubChem CID15371795
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC NameN-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide
SMILESCOCO/C=C(\NC(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C12H13F2NO3/c1-8(16)15-12(6-18-7-17-2)10-4-3-9(13)5-11(10)14/h3-6H,7H2,1-2H3,(H,15,16)/b12-6-
InChIKeyILTYONDOUPCDPW-SDQBBNPISA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide?
The IUPAC name of N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide (CID 15371795) is N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide.
What is the SMILES notation for N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide?
The canonical SMILES for N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide is COCO/C=C(\NC(C)=O)c1ccc(F)cc1F.
What is the InChIKey of N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide?
The InChIKey is ILTYONDOUPCDPW-SDQBBNPISA-N. The full InChI is InChI=1S/C12H13F2NO3/c1-8(16)15-12(6-18-7-17-2)10-4-3-9(13)5-11(10)14/h3-6H,7H2,1-2H3,(H,15,16)/b12-6-.
What are the key properties of N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide?
N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide has a molecular weight of 257.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide is sourced from PubChem (CID 15371795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).