2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide

C14H12BrClN2O2 — CID 114323375

IUPAC2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1OCc1ccc(Br)cc1
InChIInChI=1S/C14H12BrClN2O2/c15-10-3-1-9(2-4-10)8-20-13-7-11(16)5-6-12(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyZGMXCVPFEKJYIG-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.78
Rot. Bonds4

About 2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide

2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 114323375) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID114323375
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1OCc1ccc(Br)cc1
InChIInChI=1S/C14H12BrClN2O2/c15-10-3-1-9(2-4-10)8-20-13-7-11(16)5-6-12(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyZGMXCVPFEKJYIG-UHFFFAOYSA-N
XLogP3.78
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77056964
4-chloro-N'-hydroxy-2-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 114323334
2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107279022
4-chloro-2-[(2,6-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323357
4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76984860
4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114930346
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057
4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
CID 76984720
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide (CID 114323375) is 2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Cl)cc1OCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZGMXCVPFEKJYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c15-10-3-1-9(2-4-10)8-20-13-7-11(16)5-6-12(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18).
What are the key properties of 2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide?
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 355.62 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114323375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).