N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide

C16H11F5N2O — CID 57295610

IUPACN-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide
SMILESN/C(=N\C(=O)Cc1ccccc1)c1c(C(F)(F)F)ccc(F)c1F
InChIInChI=1S/C16H11F5N2O/c17-11-7-6-10(16(19,20)21)13(14(11)18)15(22)23-12(24)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,22,23,24)
InChIKeyRZETVXUHFUGJFY-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.46
Rot. Bonds3

About N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide

N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide (PubChem CID 57295610) has the molecular formula C16H11F5N2O and a molecular weight of 342.27 g/mol. Its IUPAC name is N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide.

Molecular Properties

Compound NameN-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide
PubChem CID57295610
Molecular FormulaC16H11F5N2O
Molecular Weight342.27 g/mol
Exact Mass342.08
IUPAC NameN-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide
SMILESN/C(=N\C(=O)Cc1ccccc1)c1c(C(F)(F)F)ccc(F)c1F
InChIInChI=1S/C16H11F5N2O/c17-11-7-6-10(16(19,20)21)13(14(11)18)15(22)23-12(24)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,22,23,24)
InChIKeyRZETVXUHFUGJFY-UHFFFAOYSA-N
XLogP3.46
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.46
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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Related Compounds

N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 18945209
N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide
CID 18945210
3-[3,5-bis(trifluoromethyl)phenyl]-N-(diaminomethylidene)benzamide
CID 21838113
N-(diaminomethylidene)-4-fluoro-2-(trifluoromethyl)benzamide;hydrochloride
CID 21841082
N-(diaminomethylidene)-4-fluoro-2-(trifluoromethyl)benzamide
CID 21841083
N-(diaminomethylidene)-2-fluoro-6-(trifluoromethyl)benzamide;hydrochloride
CID 21841108
N-(diaminomethylidene)-2-fluoro-6-(trifluoromethyl)benzamide
CID 21841109
N-(diaminomethylidene)-2-(trifluoromethyl)benzamide;hydrochloride
CID 21841110
N-(diaminomethylidene)-2-(trifluoromethyl)benzamide
CID 21841111
N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide
CID 59378100
N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide
CID 59661822
(2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide
CID 73051411

Frequently Asked Questions

What is the IUPAC name of N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide?
The IUPAC name of N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide (CID 57295610) is N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide.
What is the SMILES notation for N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide?
The canonical SMILES for N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide is N/C(=N\C(=O)Cc1ccccc1)c1c(C(F)(F)F)ccc(F)c1F.
What is the InChIKey of N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide?
The InChIKey is RZETVXUHFUGJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O/c17-11-7-6-10(16(19,20)21)13(14(11)18)15(22)23-12(24)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,22,23,24).
What are the key properties of N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide?
N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide has a molecular weight of 342.27 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide is sourced from PubChem (CID 57295610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).