2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide

C12H17ClN2O2 — CID 102724420

IUPAC2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
SMILESCCC(CC)Oc1ccc(/C(N)=N/O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-3-8(4-2)17-9-5-6-10(11(13)7-9)12(14)15-16/h5-8,16H,3-4H2,1-2H3,(H2,14,15)
InChIKeyWKFMFKPBOLWJLF-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.00
Rot. Bonds5

About 2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide

2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide (PubChem CID 102724420) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
PubChem CID102724420
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
SMILESCCC(CC)Oc1ccc(/C(N)=N/O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-3-8(4-2)17-9-5-6-10(11(13)7-9)12(14)15-16/h5-8,16H,3-4H2,1-2H3,(H2,14,15)
InChIKeyWKFMFKPBOLWJLF-UHFFFAOYSA-N
XLogP3.00
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.00
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

2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 102724409
2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide
CID 102722285
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 76997706
2-chloro-1-fluoro-4-pentan-3-yloxybenzene
CID 166779725
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050
2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 76981418
methyl 3-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 121432519
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751
2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484
4-amino-2-chloro-N'-hydroxybenzenecarboximidamide
CID 58182009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide (CID 102724420) is 2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide is CCC(CC)Oc1ccc(/C(N)=N/O)c(Cl)c1.
What is the InChIKey of 2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide?
The InChIKey is WKFMFKPBOLWJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-8(4-2)17-9-5-6-10(11(13)7-9)12(14)15-16/h5-8,16H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide?
2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide has a molecular weight of 256.73 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide is sourced from PubChem (CID 102724420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).