2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide

C11H13Br2ClN2 — CID 169365195

IUPAC2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide
SMILESCC(C)c1cc(Br)c(/N=C(/N)CCl)c(Br)c1
InChIInChI=1S/C11H13Br2ClN2/c1-6(2)7-3-8(12)11(9(13)4-7)16-10(15)5-14/h3-4,6H,5H2,1-2H3,(H2,15,16)
InChIKeyGYWQOHBAKPNKBQ-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.56
Rot. Bonds3

About 2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide

2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide (PubChem CID 169365195) has the molecular formula C11H13Br2ClN2 and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide
PubChem CID169365195
Molecular FormulaC11H13Br2ClN2
Molecular Weight368.50 g/mol
Exact Mass365.91
IUPAC Name2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide
SMILESCC(C)c1cc(Br)c(/N=C(/N)CCl)c(Br)c1
InChIInChI=1S/C11H13Br2ClN2/c1-6(2)7-3-8(12)11(9(13)4-7)16-10(15)5-14/h3-4,6H,5H2,1-2H3,(H2,15,16)
InChIKeyGYWQOHBAKPNKBQ-UHFFFAOYSA-N
XLogP4.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.56
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-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide (CID 169365195) is 2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide is CC(C)c1cc(Br)c(/N=C(/N)CCl)c(Br)c1.
What is the InChIKey of 2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide?
The InChIKey is GYWQOHBAKPNKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2ClN2/c1-6(2)7-3-8(12)11(9(13)4-7)16-10(15)5-14/h3-4,6H,5H2,1-2H3,(H2,15,16).
What are the key properties of 2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide?
2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide has a molecular weight of 368.50 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide is sourced from PubChem (CID 169365195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).