5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide

C12H17ClN2O2 — CID 102982026

IUPAC5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide
SMILESCCCC(C)Oc1ccc(Cl)cc1/C(N)=N/O
InChIInChI=1S/C12H17ClN2O2/c1-3-4-8(2)17-11-6-5-9(13)7-10(11)12(14)15-16/h5-8,16H,3-4H2,1-2H3,(H2,14,15)
InChIKeyBPNGRZDTUYIPRA-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.00
Rot. Bonds5

About 5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide

5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide (PubChem CID 102982026) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide
PubChem CID102982026
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide
SMILESCCCC(C)Oc1ccc(Cl)cc1/C(N)=N/O
InChIInChI=1S/C12H17ClN2O2/c1-3-4-8(2)17-11-6-5-9(13)7-10(11)12(14)15-16/h5-8,16H,3-4H2,1-2H3,(H2,14,15)
InChIKeyBPNGRZDTUYIPRA-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

N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide
CID 107930155
5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76997856
5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
CID 76944556
(1S)-1-(5-chloro-2-pentan-2-yloxyphenyl)ethanol
CID 107892259
N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide
CID 107892897
4-chloro-2-(chloromethyl)-1-pentan-2-yloxybenzene
CID 107896133
5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
CID 107889750
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77056964
5-chloro-2-(1-ethoxypropan-2-yloxy)benzenecarbothioamide
CID 103488271
4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
CID 76984720

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide?
The IUPAC name of 5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide (CID 102982026) is 5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide is CCCC(C)Oc1ccc(Cl)cc1/C(N)=N/O.
What is the InChIKey of 5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide?
The InChIKey is BPNGRZDTUYIPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-4-8(2)17-11-6-5-9(13)7-10(11)12(14)15-16/h5-8,16H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide?
5-chloro-N'-hydroxy-2-pentan-2-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 5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide is sourced from PubChem (CID 102982026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).