2,2,2-trichloro-N'-phenylethanimidamide

C8H7Cl3N2 — CID 2770203

IUPAC2,2,2-trichloro-N'-phenylethanimidamide
SMILESN/C(=N\c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H7Cl3N2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h1-5H,(H2,12,13)
InChIKeyAURTYWGRGQGSGD-UHFFFAOYSA-N
MW237.52 g/mol
LogP3.05
Rot. Bonds1

About 2,2,2-trichloro-N'-phenylethanimidamide

2,2,2-trichloro-N'-phenylethanimidamide (PubChem CID 2770203) has the molecular formula C8H7Cl3N2 and a molecular weight of 237.52 g/mol. Its IUPAC name is 2,2,2-trichloro-N'-phenylethanimidamide.

Molecular Properties

Compound Name2,2,2-trichloro-N'-phenylethanimidamide
PubChem CID2770203
Molecular FormulaC8H7Cl3N2
Molecular Weight237.52 g/mol
Exact Mass235.97
IUPAC Name2,2,2-trichloro-N'-phenylethanimidamide
SMILESN/C(=N\c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H7Cl3N2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h1-5H,(H2,12,13)
InChIKeyAURTYWGRGQGSGD-UHFFFAOYSA-N
XLogP3.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.52
LogP ≤ 53.05
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 2,2,2-trichloro-N'-phenylethanimidamide?
The IUPAC name of 2,2,2-trichloro-N'-phenylethanimidamide (CID 2770203) is 2,2,2-trichloro-N'-phenylethanimidamide.
What is the SMILES notation for 2,2,2-trichloro-N'-phenylethanimidamide?
The canonical SMILES for 2,2,2-trichloro-N'-phenylethanimidamide is N/C(=N\c1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N'-phenylethanimidamide?
The InChIKey is AURTYWGRGQGSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3N2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h1-5H,(H2,12,13).
What are the key properties of 2,2,2-trichloro-N'-phenylethanimidamide?
2,2,2-trichloro-N'-phenylethanimidamide has a molecular weight of 237.52 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N'-phenylethanimidamide is sourced from PubChem (CID 2770203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).