4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide

C14H12Br2N2O — CID 81276266

IUPAC4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Br)cc2Br)cc1C
InChIInChI=1S/C14H12Br2N2O/c1-8-6-10(3-4-11(8)14(17)18)19-13-5-2-9(15)7-12(13)16/h2-7H,1H3,(H3,17,18)
InChIKeyLRZQVDDTMIZATK-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.60
Rot. Bonds3

About 4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide

4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide (PubChem CID 81276266) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
PubChem CID81276266
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Br)cc2Br)cc1C
InChIInChI=1S/C14H12Br2N2O/c1-8-6-10(3-4-11(8)14(17)18)19-13-5-2-9(15)7-12(13)16/h2-7H,1H3,(H3,17,18)
InChIKeyLRZQVDDTMIZATK-UHFFFAOYSA-N
XLogP4.60
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.60
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'}

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Related Compounds

4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
CID 114673658
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
5-bromo-2-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114893294
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066
4-(2-bromo-4-methylphenoxy)-2-methylbenzamide
CID 81273209
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
4-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904864
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114893307

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide?
The IUPAC name of 4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide (CID 81276266) is 4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(Br)cc2Br)cc1C.
What is the InChIKey of 4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide?
The InChIKey is LRZQVDDTMIZATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-8-6-10(3-4-11(8)14(17)18)19-13-5-2-9(15)7-12(13)16/h2-7H,1H3,(H3,17,18).
What are the key properties of 4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide?
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide has a molecular weight of 384.07 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81276266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).