2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide

C14H12BrClN2O — CID 107279532

IUPAC2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Cl)c(C)c2)cc1Br
InChIInChI=1S/C14H12BrClN2O/c1-8-6-9(3-5-13(8)16)19-10-2-4-11(14(17)18)12(15)7-10/h2-7H,1H3,(H3,17,18)
InChIKeySHSCQCOSDGFIIV-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.49
Rot. Bonds3

About 2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide

2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide (PubChem CID 107279532) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
PubChem CID107279532
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Cl)c(C)c2)cc1Br
InChIInChI=1S/C14H12BrClN2O/c1-8-6-9(3-5-13(8)16)19-10-2-4-11(14(17)18)12(15)7-10/h2-7H,1H3,(H3,17,18)
InChIKeySHSCQCOSDGFIIV-UHFFFAOYSA-N
XLogP4.49
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.49
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

2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarbothioamide
CID 107278307
2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 107279626
4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
CID 65203810
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
2-bromo-4-(4-chloro-3,5-dimethylphenoxy)benzenecarbothioamide
CID 107278341
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
2-bromo-4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279544
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide
CID 107279610

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide (CID 107279532) is 2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(Cl)c(C)c2)cc1Br.
What is the InChIKey of 2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide?
The InChIKey is SHSCQCOSDGFIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-6-9(3-5-13(8)16)19-10-2-4-11(14(17)18)12(15)7-10/h2-7H,1H3,(H3,17,18).
What are the key properties of 2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide?
2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide has a molecular weight of 339.62 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 107279532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).