4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide

C14H22BrN3O — CID 107575376

IUPAC4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCc1cc(NCCC(C)(C)/C(N)=N/O)cc(C)c1Br
InChIInChI=1S/C14H22BrN3O/c1-9-7-11(8-10(2)12(9)15)17-6-5-14(3,4)13(16)18-19/h7-8,17,19H,5-6H2,1-4H3,(H2,16,18)
InChIKeyREVMZDDLHMFOOO-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.64
Rot. Bonds5

About 4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 107575376) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID107575376
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCc1cc(NCCC(C)(C)/C(N)=N/O)cc(C)c1Br
InChIInChI=1S/C14H22BrN3O/c1-9-7-11(8-10(2)12(9)15)17-6-5-14(3,4)13(16)18-19/h7-8,17,19H,5-6H2,1-4H3,(H2,16,18)
InChIKeyREVMZDDLHMFOOO-UHFFFAOYSA-N
XLogP3.64
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.64
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

(4-Bromo-3,5-dimethyl-phenyl)-(2-fluoro-ethyl)-amine
CID 86672778
4-[(4-bromo-3-methylanilino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77025441
2-[(4-bromo-3-methylanilino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77025700
3-[(4-bromo-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026697
3-[4-bromo-3-(trifluoromethyl)anilino]-N'-hydroxy-2-methylpropanimidamide
CID 77053754
2-[4-bromo-3-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
CID 77053755
3-[4-bromo-3-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
CID 77053761
3-[4-bromo-3-(trifluoromethyl)anilino]-N'-hydroxypentanimidamide
CID 77053762
3-[4-bromo-3-(trifluoromethyl)anilino]-N'-hydroxybutanimidamide
CID 77053763
4-[4-bromo-3-(trifluoromethyl)anilino]-N'-hydroxybutanimidamide
CID 77053765
2-[4-bromo-3-(trifluoromethyl)anilino]-N'-hydroxybutanimidamide
CID 77053766
5-[4-bromo-3-(trifluoromethyl)anilino]-N'-hydroxypentanimidamide
CID 77053767

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 107575376) is 4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide is Cc1cc(NCCC(C)(C)/C(N)=N/O)cc(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is REVMZDDLHMFOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-9-7-11(8-10(2)12(9)15)17-6-5-14(3,4)13(16)18-19/h7-8,17,19H,5-6H2,1-4H3,(H2,16,18).
What are the key properties of 4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 328.25 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 107575376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).