3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide

C12H17ClN2O2 — CID 43368320

IUPAC3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)Oc1ccc(Cl)cc1C
InChIInChI=1S/C12H17ClN2O2/c1-3-10(7-12(14)15-16)17-11-5-4-9(13)6-8(11)2/h4-6,10,16H,3,7H2,1-2H3,(H2,14,15)
InChIKeySPMNLKJZHQCOFH-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.94
Rot. Bonds5

About 3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide

3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide (PubChem CID 43368320) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide
PubChem CID43368320
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)Oc1ccc(Cl)cc1C
InChIInChI=1S/C12H17ClN2O2/c1-3-10(7-12(14)15-16)17-11-5-4-9(13)6-8(11)2/h4-6,10,16H,3,7H2,1-2H3,(H2,14,15)
InChIKeySPMNLKJZHQCOFH-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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

3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide
CID 43175295
3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide
CID 43368616
4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide
CID 24697005
2-(4-chloro-2-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63498764
N'-hydroxy-3-phenoxypentanimidamide
CID 43368248
3-(2,5-dichlorophenoxy)pentanethioamide
CID 43175286
N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide
CID 43175259
3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide
CID 43368325
2-(4-chloro-2-methylphenoxy)hexanoic acid
CID 23187169
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide
CID 43368956
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine
CID 62571241

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide (CID 43368320) is 3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)Oc1ccc(Cl)cc1C.
What is the InChIKey of 3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide?
The InChIKey is SPMNLKJZHQCOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-10(7-12(14)15-16)17-11-5-4-9(13)6-8(11)2/h4-6,10,16H,3,7H2,1-2H3,(H2,14,15).
What are the key properties of 3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide?
3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide has a molecular weight of 256.73 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide is sourced from PubChem (CID 43368320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).