N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide

C17H15F3N2O2 — CID 142821883

IUPACN-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide
SMILESCc1ccc(OC(F)F)c(/C(N)=N/C(=O)Cc2ccccc2)c1F
InChIInChI=1S/C17H15F3N2O2/c1-10-7-8-12(24-17(19)20)14(15(10)18)16(21)22-13(23)9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3,(H2,21,22,23)
InChIKeyXNJSHNWTCXGYCY-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.21
Rot. Bonds5

About N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide

N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide (PubChem CID 142821883) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide.

Molecular Properties

Compound NameN-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide
PubChem CID142821883
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide
SMILESCc1ccc(OC(F)F)c(/C(N)=N/C(=O)Cc2ccccc2)c1F
InChIInChI=1S/C17H15F3N2O2/c1-10-7-8-12(24-17(19)20)14(15(10)18)16(21)22-13(23)9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3,(H2,21,22,23)
InChIKeyXNJSHNWTCXGYCY-UHFFFAOYSA-N
XLogP3.21
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide
CID 69114960
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
[2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107515050
2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 11402917
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
CID 171006385
3-(difluoromethoxy)-6-fluoro-2-methylbenzoic acid
CID 131290839
4-(difluoromethoxy)-2-fluoro-3-methylbenzoic acid
CID 131290840
ethyl 2-[2-amino-3-(difluoromethoxy)-6-methylphenyl]acetate
CID 171011575
2-[2-(difluoromethoxy)-5-(2-oxopropyl)phenyl]acetic acid
CID 118809070
benzyl 2-(difluoromethoxy)benzoate
CID 55327292

Frequently Asked Questions

What is the IUPAC name of N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide?
The IUPAC name of N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide (CID 142821883) is N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide.
What is the SMILES notation for N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide?
The canonical SMILES for N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide is Cc1ccc(OC(F)F)c(/C(N)=N/C(=O)Cc2ccccc2)c1F.
What is the InChIKey of N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide?
The InChIKey is XNJSHNWTCXGYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-10-7-8-12(24-17(19)20)14(15(10)18)16(21)22-13(23)9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3,(H2,21,22,23).
What are the key properties of N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide?
N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide has a molecular weight of 336.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide is sourced from PubChem (CID 142821883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).