N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide

C10H9F3N2O — CID 89232262

IUPACN-(1-aminoethylidene)-3-(trifluoromethyl)benzamide
SMILESC/C(N)=N\C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O/c1-6(14)15-9(16)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3,(H2,14,15,16)
InChIKeyBSPQIODMGUOLDP-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.22
Rot. Bonds1

About N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide

N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide (PubChem CID 89232262) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-3-(trifluoromethyl)benzamide
PubChem CID89232262
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC NameN-(1-aminoethylidene)-3-(trifluoromethyl)benzamide
SMILESC/C(N)=N\C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O/c1-6(14)15-9(16)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3,(H2,14,15,16)
InChIKeyBSPQIODMGUOLDP-UHFFFAOYSA-N
XLogP2.22
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.22
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-(1-aminoethylidene)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide (CID 89232262) is N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide is C/C(N)=N\C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide?
The InChIKey is BSPQIODMGUOLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-6(14)15-9(16)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3,(H2,14,15,16).
What are the key properties of N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide?
N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide has a molecular weight of 230.19 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 89232262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).