4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide

C9H11ClN2O3 — CID 114323364

IUPAC4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
SMILESCOCOc1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C9H11ClN2O3/c1-14-5-15-8-4-6(10)2-3-7(8)9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12)
InChIKeyFTGJZEQXGRNBLD-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.42
Rot. Bonds4

About 4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide

4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide (PubChem CID 114323364) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
PubChem CID114323364
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
SMILESCOCOc1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C9H11ClN2O3/c1-14-5-15-8-4-6(10)2-3-7(8)9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12)
InChIKeyFTGJZEQXGRNBLD-UHFFFAOYSA-N
XLogP1.42
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide
CID 106705042
4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
CID 76984720
4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057
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
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
4-chloro-N'-hydroxy-2-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 114323334
4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323401
4-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76999572
4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
CID 114323384

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide (CID 114323364) is 4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide is COCOc1cc(Cl)ccc1/C(N)=N/O.
What is the InChIKey of 4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide?
The InChIKey is FTGJZEQXGRNBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-14-5-15-8-4-6(10)2-3-7(8)9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12).
What are the key properties of 4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide?
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide has a molecular weight of 230.65 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide is sourced from PubChem (CID 114323364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).