4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide

C13H19ClN2O4 — CID 103402738

IUPAC4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
SMILESCOCCOCCCOc1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C13H19ClN2O4/c1-18-7-8-19-5-2-6-20-12-9-10(14)3-4-11(12)13(15)16-17/h3-4,9,17H,2,5-8H2,1H3,(H2,15,16)
InChIKeyNVHZQVDKTQIRNH-UHFFFAOYSA-N
MW302.76 g/mol
LogP1.87
Rot. Bonds9

About 4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide

4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide (PubChem CID 103402738) has the molecular formula C13H19ClN2O4 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
PubChem CID103402738
Molecular FormulaC13H19ClN2O4
Molecular Weight302.76 g/mol
Exact Mass302.10
IUPAC Name4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
SMILESCOCCOCCCOc1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C13H19ClN2O4/c1-18-7-8-19-5-2-6-20-12-9-10(14)3-4-11(12)13(15)16-17/h3-4,9,17H,2,5-8H2,1H3,(H2,15,16)
InChIKeyNVHZQVDKTQIRNH-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

4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057
N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177799
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide
CID 107930270
4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
CID 76984720
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 103177687
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
CID 106790372
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide
CID 106705042
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide (CID 103402738) is 4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide is COCCOCCCOc1cc(Cl)ccc1/C(N)=N/O.
What is the InChIKey of 4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide?
The InChIKey is NVHZQVDKTQIRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4/c1-18-7-8-19-5-2-6-20-12-9-10(14)3-4-11(12)13(15)16-17/h3-4,9,17H,2,5-8H2,1H3,(H2,15,16).
What are the key properties of 4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide?
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]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 4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide is sourced from PubChem (CID 103402738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).