4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide

C14H12BrClN2O3 — CID 104707751

IUPAC4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
SMILESCOc1ccc(Oc2ccc(/C(N)=N/O)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H12BrClN2O3/c1-20-8-3-5-13(11(15)6-8)21-9-2-4-10(12(16)7-9)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeyQLWMUSMRRGRMRC-UHFFFAOYSA-N
MW371.62 g/mol
LogP4.00
Rot. Bonds4

About 4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide

4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 104707751) has the molecular formula C14H12BrClN2O3 and a molecular weight of 371.62 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID104707751
Molecular FormulaC14H12BrClN2O3
Molecular Weight371.62 g/mol
Exact Mass369.97
IUPAC Name4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
SMILESCOc1ccc(Oc2ccc(/C(N)=N/O)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H12BrClN2O3/c1-20-8-3-5-13(11(15)6-8)21-9-2-4-10(12(16)7-9)14(17)18-19/h2-7,19H,1H3,(H2,17,18)
InChIKeyQLWMUSMRRGRMRC-UHFFFAOYSA-N
XLogP4.00
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.62
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 76997706
2-bromo-4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 107658343
2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303583
4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 107658362
2-bromo-4-(3,4-dichlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536180
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981453
2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297165
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050
2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 76981418
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide (CID 104707751) is 4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide is COc1ccc(Oc2ccc(/C(N)=N/O)c(Cl)c2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is QLWMUSMRRGRMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O3/c1-20-8-3-5-13(11(15)6-8)21-9-2-4-10(12(16)7-9)14(17)18-19/h2-7,19H,1H3,(H2,17,18).
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide?
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 371.62 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 104707751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).