N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide

C10H10F3N3O — CID 18925623

IUPACN-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide
SMILESCc1ccc(C(F)(F)F)cc1C(=O)N=C(N)N
InChIInChI=1S/C10H10F3N3O/c1-5-2-3-6(10(11,12)13)4-7(5)8(17)16-9(14)15/h2-4H,1H3,(H4,14,15,16,17)
InChIKeyLMOZDBYJHKGGIR-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.43
Rot. Bonds1

About N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide

N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide (PubChem CID 18925623) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide
PubChem CID18925623
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC NameN-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide
SMILESCc1ccc(C(F)(F)F)cc1C(=O)N=C(N)N
InChIInChI=1S/C10H10F3N3O/c1-5-2-3-6(10(11,12)13)4-7(5)8(17)16-9(14)15/h2-4H,1H3,(H4,14,15,16,17)
InChIKeyLMOZDBYJHKGGIR-UHFFFAOYSA-N
XLogP1.43
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
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-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide (CID 18925623) is N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide is Cc1ccc(C(F)(F)F)cc1C(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is LMOZDBYJHKGGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-5-2-3-6(10(11,12)13)4-7(5)8(17)16-9(14)15/h2-4H,1H3,(H4,14,15,16,17).
What are the key properties of N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide?
N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 245.20 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 18925623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).