N,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide

C11H12Cl3N3 — CID 11044555

IUPACN,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide
SMILES[H]/N=C(/N=C(/c1ccccc1)N(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C11H12Cl3N3/c1-17(2)9(8-6-4-3-5-7-8)16-10(15)11(12,13)14/h3-7,15H,1-2H3/b15-10+,16-9-
InChIKeyUYRQYINENGTXHE-ZXPPHNRTSA-N
MW292.60 g/mol
LogP3.34
Rot. Bonds1

About N,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide

N,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide (PubChem CID 11044555) has the molecular formula C11H12Cl3N3 and a molecular weight of 292.60 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide
PubChem CID11044555
Molecular FormulaC11H12Cl3N3
Molecular Weight292.60 g/mol
Exact Mass291.01
IUPAC NameN,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide
SMILES[H]/N=C(/N=C(/c1ccccc1)N(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C11H12Cl3N3/c1-17(2)9(8-6-4-3-5-7-8)16-10(15)11(12,13)14/h3-7,15H,1-2H3/b15-10+,16-9-
InChIKeyUYRQYINENGTXHE-ZXPPHNRTSA-N
XLogP3.34
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide?
The IUPAC name of N,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide (CID 11044555) is N,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide.
What is the SMILES notation for N,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide?
The canonical SMILES for N,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide is [H]/N=C(/N=C(/c1ccccc1)N(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of N,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide?
The InChIKey is UYRQYINENGTXHE-ZXPPHNRTSA-N. The full InChI is InChI=1S/C11H12Cl3N3/c1-17(2)9(8-6-4-3-5-7-8)16-10(15)11(12,13)14/h3-7,15H,1-2H3/b15-10+,16-9-.
What are the key properties of N,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide?
N,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide has a molecular weight of 292.60 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2,2,2-trichloroethanimidoyl)benzenecarboximidamide is sourced from PubChem (CID 11044555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).