5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide

C11H14Cl2N2O2 — CID 109374706

IUPAC5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide
SMILESN/C(CCCCOc1cc(Cl)ccc1Cl)=N/O
InChIInChI=1S/C11H14Cl2N2O2/c12-8-4-5-9(13)10(7-8)17-6-2-1-3-11(14)15-16/h4-5,7,16H,1-3,6H2,(H2,14,15)
InChIKeyYHCBTUHOBIVJKA-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.29
Rot. Bonds6

About 5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide

5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide (PubChem CID 109374706) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide
PubChem CID109374706
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide
SMILESN/C(CCCCOc1cc(Cl)ccc1Cl)=N/O
InChIInChI=1S/C11H14Cl2N2O2/c12-8-4-5-9(13)10(7-8)17-6-2-1-3-11(14)15-16/h4-5,7,16H,1-3,6H2,(H2,14,15)
InChIKeyYHCBTUHOBIVJKA-UHFFFAOYSA-N
XLogP3.29
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide
CID 24697005
2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070577
5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide
CID 76905959
1,4-dichloro-2-(4-phenylbutoxy)benzene
CID 114334883
5-(2,5-dibromo-4-methoxyphenoxy)-N'-hydroxypentanimidamide
CID 79404299
6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711852
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride
CID 160754302
3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide
CID 76992494
1-(2,5-dichlorophenoxy)pentan-3-one
CID 39349556
4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide
CID 77056923
3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium
CID 7460356

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide (CID 109374706) is 5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide is N/C(CCCCOc1cc(Cl)ccc1Cl)=N/O.
What is the InChIKey of 5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide?
The InChIKey is YHCBTUHOBIVJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c12-8-4-5-9(13)10(7-8)17-6-2-1-3-11(14)15-16/h4-5,7,16H,1-3,6H2,(H2,14,15).
What are the key properties of 5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide?
5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide has a molecular weight of 277.15 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide is sourced from PubChem (CID 109374706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).