2,2-bis(4-bromo-2-methylphenyl)ethanimidamide

C16H16Br2N2 — CID 70090207

IUPAC2,2-bis(4-bromo-2-methylphenyl)ethanimidamide
SMILES[H]/N=C(\N)C(c1ccc(Br)cc1C)c1ccc(Br)cc1C
InChIInChI=1S/C16H16Br2N2/c1-9-7-11(17)3-5-13(9)15(16(19)20)14-6-4-12(18)8-10(14)2/h3-8,15H,1-2H3,(H3,19,20)
InChIKeyLMOZZNDKAWECLZ-UHFFFAOYSA-N
MW396.13 g/mol
LogP4.90
Rot. Bonds3

About 2,2-bis(4-bromo-2-methylphenyl)ethanimidamide

2,2-bis(4-bromo-2-methylphenyl)ethanimidamide (PubChem CID 70090207) has the molecular formula C16H16Br2N2 and a molecular weight of 396.13 g/mol. Its IUPAC name is 2,2-bis(4-bromo-2-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name2,2-bis(4-bromo-2-methylphenyl)ethanimidamide
PubChem CID70090207
Molecular FormulaC16H16Br2N2
Molecular Weight396.13 g/mol
Exact Mass393.97
IUPAC Name2,2-bis(4-bromo-2-methylphenyl)ethanimidamide
SMILES[H]/N=C(\N)C(c1ccc(Br)cc1C)c1ccc(Br)cc1C
InChIInChI=1S/C16H16Br2N2/c1-9-7-11(17)3-5-13(9)15(16(19)20)14-6-4-12(18)8-10(14)2/h3-8,15H,1-2H3,(H3,19,20)
InChIKeyLMOZZNDKAWECLZ-UHFFFAOYSA-N
XLogP4.90
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.13
LogP ≤ 54.90
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 2,2-bis(4-bromo-2-methylphenyl)ethanimidamide?
The IUPAC name of 2,2-bis(4-bromo-2-methylphenyl)ethanimidamide (CID 70090207) is 2,2-bis(4-bromo-2-methylphenyl)ethanimidamide.
What is the SMILES notation for 2,2-bis(4-bromo-2-methylphenyl)ethanimidamide?
The canonical SMILES for 2,2-bis(4-bromo-2-methylphenyl)ethanimidamide is [H]/N=C(\N)C(c1ccc(Br)cc1C)c1ccc(Br)cc1C.
What is the InChIKey of 2,2-bis(4-bromo-2-methylphenyl)ethanimidamide?
The InChIKey is LMOZZNDKAWECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2/c1-9-7-11(17)3-5-13(9)15(16(19)20)14-6-4-12(18)8-10(14)2/h3-8,15H,1-2H3,(H3,19,20).
What are the key properties of 2,2-bis(4-bromo-2-methylphenyl)ethanimidamide?
2,2-bis(4-bromo-2-methylphenyl)ethanimidamide has a molecular weight of 396.13 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-bromo-2-methylphenyl)ethanimidamide is sourced from PubChem (CID 70090207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).