3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide

C11H15Br2N3O — CID 77032771

IUPAC3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)Nc1cc(Br)ccc1Br
InChIInChI=1S/C11H15Br2N3O/c1-2-8(6-11(14)16-17)15-10-5-7(12)3-4-9(10)13/h3-5,8,15,17H,2,6H2,1H3,(H2,14,16)
InChIKeyHHKGLPXEACBHJP-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.54
Rot. Bonds5

About 3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide

3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide (PubChem CID 77032771) has the molecular formula C11H15Br2N3O and a molecular weight of 365.07 g/mol. Its IUPAC name is 3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
PubChem CID77032771
Molecular FormulaC11H15Br2N3O
Molecular Weight365.07 g/mol
Exact Mass362.96
IUPAC Name3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)Nc1cc(Br)ccc1Br
InChIInChI=1S/C11H15Br2N3O/c1-2-8(6-11(14)16-17)15-10-5-7(12)3-4-9(10)13/h3-5,8,15,17H,2,6H2,1H3,(H2,14,16)
InChIKeyHHKGLPXEACBHJP-UHFFFAOYSA-N
XLogP3.54
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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': '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-[(5-bromo-2-fluorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77032559
3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide
CID 77026996
3-(5-bromo-2-methylanilino)-N'-hydroxybutanimidamide
CID 77029430
3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide
CID 107607002
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-4-bromo-2-methylbenzamide
CID 55101444
3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide
CID 77026244
N'-hydroxy-3-[3-(trifluoromethyl)anilino]pentanimidamide
CID 77025930
5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
CID 77032478
N'-hydroxy-3-[4-(trifluoromethyl)anilino]pentanimidamide
CID 77025322
3-[4-bromo-2-(trifluoromethyl)anilino]-N'-hydroxybutanimidamide
CID 77027358
3-(2-bromoanilino)-N'-hydroxybutanimidamide
CID 77026721
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide
CID 107992470

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide (CID 77032771) is 3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide is CCC(CC(N)=NO)Nc1cc(Br)ccc1Br.
What is the InChIKey of 3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide?
The InChIKey is HHKGLPXEACBHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N3O/c1-2-8(6-11(14)16-17)15-10-5-7(12)3-4-9(10)13/h3-5,8,15,17H,2,6H2,1H3,(H2,14,16).
What are the key properties of 3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide?
3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide has a molecular weight of 365.07 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77032771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).