4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide

C11H16BrN3O — CID 107584120

IUPAC4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide
SMILESCc1cc(Br)cc(NCCC/C(N)=N/O)c1
InChIInChI=1S/C11H16BrN3O/c1-8-5-9(12)7-10(6-8)14-4-2-3-11(13)15-16/h5-7,14,16H,2-4H2,1H3,(H2,13,15)
InChIKeyHEGNVUBSIUJIDH-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.70
Rot. Bonds5

About 4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide

4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide (PubChem CID 107584120) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide
PubChem CID107584120
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide
SMILESCc1cc(Br)cc(NCCC/C(N)=N/O)c1
InChIInChI=1S/C11H16BrN3O/c1-8-5-9(12)7-10(6-8)14-4-2-3-11(13)15-16/h5-7,14,16H,2-4H2,1H3,(H2,13,15)
InChIKeyHEGNVUBSIUJIDH-UHFFFAOYSA-N
XLogP2.70
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.70
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

4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028778
5-(3-bromo-5-methoxyanilino)-N'-hydroxypentanimidamide
CID 82867428
N'-hydroxy-4-(4-methylanilino)butanimidamide
CID 77025485
4-(3-bromo-5-methylanilino)butanoic acid
CID 107583188
4-(4-bromo-2-methylanilino)-N'-hydroxybutanimidamide
CID 77026809
N'-hydroxy-5-(3-methylanilino)pentanimidamide
CID 77025899
2-[1-[(3-bromo-5-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107584109
5-(3,5-dichloroanilino)-N'-hydroxypentanimidamide
CID 77025830
3-(3-bromo-5-methylanilino)propanoic acid
CID 107583064
3-bromo-5-methyl-N-(4,4,4-trifluorobutyl)aniline
CID 107583136
5-(5-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77027557
5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77026696

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide (CID 107584120) is 4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide is Cc1cc(Br)cc(NCCC/C(N)=N/O)c1.
What is the InChIKey of 4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide?
The InChIKey is HEGNVUBSIUJIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8-5-9(12)7-10(6-8)14-4-2-3-11(13)15-16/h5-7,14,16H,2-4H2,1H3,(H2,13,15).
What are the key properties of 4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide?
4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide has a molecular weight of 286.17 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methylanilino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 107584120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).