N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide

C11H11F3N2O — CID 13331297

IUPACN-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide
SMILESCC(C)=NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c1-7(2)15-16-10(17)8-3-5-9(6-4-8)11(12,13)14/h3-6H,1-2H3,(H,16,17)
InChIKeyBKETYKPWKLYUEU-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.83
Rot. Bonds2

About N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide

N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide (PubChem CID 13331297) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide
PubChem CID13331297
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC NameN-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide
SMILESCC(C)=NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c1-7(2)15-16-10(17)8-3-5-9(6-4-8)11(12,13)14/h3-6H,1-2H3,(H,16,17)
InChIKeyBKETYKPWKLYUEU-UHFFFAOYSA-N
XLogP2.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide (CID 13331297) is N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide is CC(C)=NNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide?
The InChIKey is BKETYKPWKLYUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-7(2)15-16-10(17)8-3-5-9(6-4-8)11(12,13)14/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide?
N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide has a molecular weight of 244.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 13331297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).