4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide

C14H12BrClN2O — CID 107284677

IUPAC4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Br)ccc2C)c(Cl)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-2-4-10(15)7-13(8)19-12-5-3-9(14(17)18)6-11(12)16/h2-7H,1H3,(H3,17,18)
InChIKeyMDHNJIXRUBVCPV-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.49
Rot. Bonds3

About 4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide

4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide (PubChem CID 107284677) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
PubChem CID107284677
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(Br)ccc2C)c(Cl)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-2-4-10(15)7-13(8)19-12-5-3-9(14(17)18)6-11(12)16/h2-7H,1H3,(H3,17,18)
InChIKeyMDHNJIXRUBVCPV-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-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide
CID 114673673
3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 63087416
1-[4-(5-bromo-2-methylphenoxy)-3-chlorophenyl]ethanone
CID 107284741
4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide
CID 107099791
4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483738
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
3-chloro-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63087240
5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 114893289
3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide
CID 63086917
3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 82800181
4-(2-bromophenoxy)-3-methylbenzenecarboximidamide
CID 54933599
2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide
CID 107284685

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide?
The IUPAC name of 4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide (CID 107284677) is 4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide?
The canonical SMILES for 4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(Br)ccc2C)c(Cl)c1.
What is the InChIKey of 4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide?
The InChIKey is MDHNJIXRUBVCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-2-4-10(15)7-13(8)19-12-5-3-9(14(17)18)6-11(12)16/h2-7H,1H3,(H3,17,18).
What are the key properties of 4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide?
4-(5-bromo-2-methylphenoxy)-3-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-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide is sourced from PubChem (CID 107284677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).