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

C11H15Br2N3O — CID 77032478

IUPAC5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNc1cc(Br)ccc1Br)=NO
InChIInChI=1S/C11H15Br2N3O/c12-8-4-5-9(13)10(7-8)15-6-2-1-3-11(14)16-17/h4-5,7,15,17H,1-3,6H2,(H2,14,16)
InChIKeyXHYAEGFFLMXDRV-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.54
Rot. Bonds6

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

5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide (PubChem CID 77032478) has the molecular formula C11H15Br2N3O and a molecular weight of 365.07 g/mol. Its IUPAC name is 5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
PubChem CID77032478
Molecular FormulaC11H15Br2N3O
Molecular Weight365.07 g/mol
Exact Mass362.96
IUPAC Name5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNc1cc(Br)ccc1Br)=NO
InChIInChI=1S/C11H15Br2N3O/c12-8-4-5-9(13)10(7-8)15-6-2-1-3-11(14)16-17/h4-5,7,15,17H,1-3,6H2,(H2,14,16)
InChIKeyXHYAEGFFLMXDRV-UHFFFAOYSA-N
XLogP3.54
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.54
H-Bond Donors ≤ 53
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

5-(5-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77027557
5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77026696
4-(4-bromo-2-methylanilino)-N'-hydroxybutanimidamide
CID 77026809
3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide
CID 77069982
2,5-dibromo-N-decylaniline
CID 63492917
2-(2,5-dibromoanilino)ethanol
CID 61467228
5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide
CID 114260347
4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028778
N'-hydroxy-5-(3-methylanilino)pentanimidamide
CID 77025899
2,5-dibromo-N-(3-methylsulfanylpropyl)aniline
CID 43736602
3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide
CID 107613140
5-(3-bromo-5-methoxyanilino)-N'-hydroxypentanimidamide
CID 82867428

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide (CID 77032478) is 5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide is NC(CCCCNc1cc(Br)ccc1Br)=NO.
What is the InChIKey of 5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide?
The InChIKey is XHYAEGFFLMXDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N3O/c12-8-4-5-9(13)10(7-8)15-6-2-1-3-11(14)16-17/h4-5,7,15,17H,1-3,6H2,(H2,14,16).
What are the key properties of 5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide?
5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide has a molecular weight of 365.07 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77032478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).