5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide

C11H13ClF3N3 — CID 55078904

IUPAC5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(CC)CC(F)(F)F
InChIInChI=1S/C11H13ClF3N3/c1-2-18(6-11(13,14)15)9-4-3-7(12)5-8(9)10(16)17/h3-5H,2,6H2,1H3,(H3,16,17)
InChIKeyIPUGGEAYJCTFQA-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.01
Rot. Bonds4

About 5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide

5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide (PubChem CID 55078904) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
PubChem CID55078904
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(CC)CC(F)(F)F
InChIInChI=1S/C11H13ClF3N3/c1-2-18(6-11(13,14)15)9-4-3-7(12)5-8(9)10(16)17/h3-5H,2,6H2,1H3,(H3,16,17)
InChIKeyIPUGGEAYJCTFQA-UHFFFAOYSA-N
XLogP3.01
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide (CID 55078904) is 5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(CC)CC(F)(F)F.
What is the InChIKey of 5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
The InChIKey is IPUGGEAYJCTFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c1-2-18(6-11(13,14)15)9-4-3-7(12)5-8(9)10(16)17/h3-5H,2,6H2,1H3,(H3,16,17).
What are the key properties of 5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide has a molecular weight of 279.69 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 55078904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).