N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide

C17H14F4N2O — CID 142821888

IUPACN-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide
SMILESCc1ccc(C(F)(F)F)c(/C(N)=N/C(=O)Cc2ccccc2)c1F
InChIInChI=1S/C17H14F4N2O/c1-10-7-8-12(17(19,20)21)14(15(10)18)16(22)23-13(24)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,22,23,24)
InChIKeyMKDVFAPCYQMWNO-UHFFFAOYSA-N
MW338.30 g/mol
LogP3.63
Rot. Bonds3

About N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide

N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide (PubChem CID 142821888) has the molecular formula C17H14F4N2O and a molecular weight of 338.30 g/mol. Its IUPAC name is N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide.

Molecular Properties

Compound NameN-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide
PubChem CID142821888
Molecular FormulaC17H14F4N2O
Molecular Weight338.30 g/mol
Exact Mass338.10
IUPAC NameN-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide
SMILESCc1ccc(C(F)(F)F)c(/C(N)=N/C(=O)Cc2ccccc2)c1F
InChIInChI=1S/C17H14F4N2O/c1-10-7-8-12(17(19,20)21)14(15(10)18)16(22)23-13(24)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,22,23,24)
InChIKeyMKDVFAPCYQMWNO-UHFFFAOYSA-N
XLogP3.63
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide?
The IUPAC name of N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide (CID 142821888) is N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide.
What is the SMILES notation for N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide?
The canonical SMILES for N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide is Cc1ccc(C(F)(F)F)c(/C(N)=N/C(=O)Cc2ccccc2)c1F.
What is the InChIKey of N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide?
The InChIKey is MKDVFAPCYQMWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O/c1-10-7-8-12(17(19,20)21)14(15(10)18)16(22)23-13(24)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,22,23,24).
What are the key properties of N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide?
N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide has a molecular weight of 338.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide is sourced from PubChem (CID 142821888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).