4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide

C14H12BrClN2O — CID 83140790

IUPAC4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Br)c(C)c2)cc1Cl
InChIInChI=1S/C14H12BrClN2O/c1-8-6-9(3-5-12(8)15)19-10-2-4-11(14(17)18)13(16)7-10/h2-7H,1H3,(H3,17,18)
InChIKeyRQRPKRVWENBRGT-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.49
Rot. Bonds3

About 4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide

4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide (PubChem CID 83140790) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
PubChem CID83140790
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Br)c(C)c2)cc1Cl
InChIInChI=1S/C14H12BrClN2O/c1-8-6-9(3-5-12(8)15)19-10-2-4-11(14(17)18)13(16)7-10/h2-7H,1H3,(H3,17,18)
InChIKeyRQRPKRVWENBRGT-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

4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
CID 65203810
2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
CID 107279532
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
2-bromo-4-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 107279626
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide
CID 102724538
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide
CID 81346152
4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
CID 102724594
6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
CID 83141115
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 63526218

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide?
The IUPAC name of 4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide (CID 83140790) is 4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide?
The canonical SMILES for 4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(Br)c(C)c2)cc1Cl.
What is the InChIKey of 4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide?
The InChIKey is RQRPKRVWENBRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-6-9(3-5-12(8)15)19-10-2-4-11(14(17)18)13(16)7-10/h2-7H,1H3,(H3,17,18).
What are the key properties of 4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide?
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide 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 4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide is sourced from PubChem (CID 83140790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).