5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide

C11H15BrFN3O — CID 77026696

IUPAC5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNc1ccc(Br)cc1F)=NO
InChIInChI=1S/C11H15BrFN3O/c12-8-4-5-10(9(13)7-8)15-6-2-1-3-11(14)16-17/h4-5,7,15,17H,1-3,6H2,(H2,14,16)
InChIKeyYZLDWCWSWJLQHD-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.92
Rot. Bonds6

About 5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide

5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide (PubChem CID 77026696) has the molecular formula C11H15BrFN3O and a molecular weight of 304.16 g/mol. Its IUPAC name is 5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
PubChem CID77026696
Molecular FormulaC11H15BrFN3O
Molecular Weight304.16 g/mol
Exact Mass303.04
IUPAC Name5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNc1ccc(Br)cc1F)=NO
InChIInChI=1S/C11H15BrFN3O/c12-8-4-5-10(9(13)7-8)15-6-2-1-3-11(14)16-17/h4-5,7,15,17H,1-3,6H2,(H2,14,16)
InChIKeyYZLDWCWSWJLQHD-UHFFFAOYSA-N
XLogP2.92
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.92
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-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
CID 77032478
4-(4-bromo-2-methylanilino)-N'-hydroxybutanimidamide
CID 77026809
5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide
CID 103586293
3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide
CID 107613140
5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide
CID 54965707
4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide
CID 79766667
4-(2-chloro-4-fluoroanilino)-N'-hydroxybutanimidamide
CID 77028777
3-(2-bromo-4-fluoroanilino)-N'-hydroxypropanimidamide
CID 77029787
4-bromo-2-fluoro-N-pent-4-ynylaniline
CID 115871934
N'-hydroxy-5-(3-methylanilino)pentanimidamide
CID 77025899
N-(4-amino-4-hydroxyiminobutyl)-5-bromo-2-fluorobenzamide
CID 76947494

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide (CID 77026696) is 5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide is NC(CCCCNc1ccc(Br)cc1F)=NO.
What is the InChIKey of 5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide?
The InChIKey is YZLDWCWSWJLQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN3O/c12-8-4-5-10(9(13)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-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide?
5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide has a molecular weight of 304.16 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77026696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).