3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide

C13H19ClN2O4 — CID 103177820

IUPAC3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
SMILESCOCCCOCCOc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C13H19ClN2O4/c1-18-5-2-6-19-7-8-20-12-4-3-10(9-11(12)14)13(15)16-17/h3-4,9,17H,2,5-8H2,1H3,(H2,15,16)
InChIKeyLTFABUVEFGBDAT-UHFFFAOYSA-N
MW302.76 g/mol
LogP1.87
Rot. Bonds9

About 3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide

3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide (PubChem CID 103177820) has the molecular formula C13H19ClN2O4 and a molecular weight of 302.76 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
PubChem CID103177820
Molecular FormulaC13H19ClN2O4
Molecular Weight302.76 g/mol
Exact Mass302.10
IUPAC Name3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
SMILESCOCCCOCCOc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C13H19ClN2O4/c1-18-5-2-6-19-7-8-20-12-4-3-10(9-11(12)14)13(15)16-17/h3-4,9,17H,2,5-8H2,1H3,(H2,15,16)
InChIKeyLTFABUVEFGBDAT-UHFFFAOYSA-N
XLogP1.87
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-chloro-4-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 103177657
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402785
3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 82800243
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177799
3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
CID 77015882
3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
CID 76899298
3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
CID 77058145
N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide
CID 107930270

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide (CID 103177820) is 3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide is COCCCOCCOc1ccc(/C(N)=N/O)cc1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide?
The InChIKey is LTFABUVEFGBDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4/c1-18-5-2-6-19-7-8-20-12-4-3-10(9-11(12)14)13(15)16-17/h3-4,9,17H,2,5-8H2,1H3,(H2,15,16).
What are the key properties of 3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide?
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide has a molecular weight of 302.76 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 103177820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).