5-(2,4-dibromophenoxy)pentanimidamide

C11H14Br2N2O — CID 64718456

IUPAC5-(2,4-dibromophenoxy)pentanimidamide
SMILES[H]/N=C(\N)CCCCOc1ccc(Br)cc1Br
InChIInChI=1S/C11H14Br2N2O/c12-8-4-5-10(9(13)7-8)16-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2,(H3,14,15)
InChIKeyJMSGGBBALCDNHH-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.70
Rot. Bonds6

About 5-(2,4-dibromophenoxy)pentanimidamide

5-(2,4-dibromophenoxy)pentanimidamide (PubChem CID 64718456) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 5-(2,4-dibromophenoxy)pentanimidamide.

Molecular Properties

Compound Name5-(2,4-dibromophenoxy)pentanimidamide
PubChem CID64718456
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name5-(2,4-dibromophenoxy)pentanimidamide
SMILES[H]/N=C(\N)CCCCOc1ccc(Br)cc1Br
InChIInChI=1S/C11H14Br2N2O/c12-8-4-5-10(9(13)7-8)16-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2,(H3,14,15)
InChIKeyJMSGGBBALCDNHH-UHFFFAOYSA-N
XLogP3.70
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

3-(4-bromo-2-chlorophenoxy)propanimidamide
CID 43114303
2,4-dibromo-1-(5-chloropentoxy)benzene
CID 64718438
2,4-dibromo-1-heptoxybenzene
CID 101293515
2,4-dibromo-1-octoxybenzene
CID 101293529
4-(2,4-dibromophenoxy)butanehydrazide
CID 63576618
2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene
CID 59330867
2-(2,4-dibromophenoxy)-N'-hydroxyethanimidamide
CID 76874127
6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712361
6-(2,4-dibromophenoxy)hexan-3-one
CID 106802046
methyl 4-(2,4-dibromophenoxy)butanoate
CID 43378226
6-(2,4-dibromophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711858
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibromophenoxy)pentanimidamide?
The IUPAC name of 5-(2,4-dibromophenoxy)pentanimidamide (CID 64718456) is 5-(2,4-dibromophenoxy)pentanimidamide.
What is the SMILES notation for 5-(2,4-dibromophenoxy)pentanimidamide?
The canonical SMILES for 5-(2,4-dibromophenoxy)pentanimidamide is [H]/N=C(\N)CCCCOc1ccc(Br)cc1Br.
What is the InChIKey of 5-(2,4-dibromophenoxy)pentanimidamide?
The InChIKey is JMSGGBBALCDNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c12-8-4-5-10(9(13)7-8)16-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2,(H3,14,15).
What are the key properties of 5-(2,4-dibromophenoxy)pentanimidamide?
5-(2,4-dibromophenoxy)pentanimidamide has a molecular weight of 350.05 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dibromophenoxy)pentanimidamide is sourced from PubChem (CID 64718456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).