4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide

C14H11BrCl2N2O2 — CID 107658362

IUPAC4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1cc(Oc2cc(Cl)c(Br)cc2Cl)ccc1/C(N)=N/O
InChIInChI=1S/C14H11BrCl2N2O2/c1-7-4-8(2-3-9(7)14(18)19-20)21-13-6-11(16)10(15)5-12(13)17/h2-6,20H,1H3,(H2,18,19)
InChIKeyFNJYOTLJCIRLTI-UHFFFAOYSA-N
MW390.06 g/mol
LogP4.95
Rot. Bonds3

About 4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide

4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide (PubChem CID 107658362) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is 4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
PubChem CID107658362
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC Name4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1cc(Oc2cc(Cl)c(Br)cc2Cl)ccc1/C(N)=N/O
InChIInChI=1S/C14H11BrCl2N2O2/c1-7-4-8(2-3-9(7)14(18)19-20)21-13-6-11(16)10(15)5-12(13)17/h2-6,20H,1H3,(H2,18,19)
InChIKeyFNJYOTLJCIRLTI-UHFFFAOYSA-N
XLogP4.95
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 107658343
2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 76997706
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine
CID 107655066
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967
1-[4-(4-bromo-2,5-dichlorophenoxy)-2-chlorophenyl]ethanone
CID 107658611
1-[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 107659558
4-(4-bromo-2-chlorophenoxy)-2-methylbenzenecarbothioamide
CID 81278085
2-bromo-4-(4-bromo-3-methylphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536246
4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277984
N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide
CID 81277531

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide?
The IUPAC name of 4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide (CID 107658362) is 4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide is Cc1cc(Oc2cc(Cl)c(Br)cc2Cl)ccc1/C(N)=N/O.
What is the InChIKey of 4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide?
The InChIKey is FNJYOTLJCIRLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O2/c1-7-4-8(2-3-9(7)14(18)19-20)21-13-6-11(16)10(15)5-12(13)17/h2-6,20H,1H3,(H2,18,19).
What are the key properties of 4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide?
4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide has a molecular weight of 390.06 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide is sourced from PubChem (CID 107658362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).