3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide

C11H16BrN3O2 — CID 82868251

IUPAC3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide
SMILESCOc1cc(NCC(C)/C(N)=N/O)ccc1Br
InChIInChI=1S/C11H16BrN3O2/c1-7(11(13)15-16)6-14-8-3-4-9(12)10(5-8)17-2/h3-5,7,14,16H,6H2,1-2H3,(H2,13,15)
InChIKeyUKPIBBGQKWGHGL-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.25
Rot. Bonds5

About 3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide

3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 82868251) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID82868251
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide
SMILESCOc1cc(NCC(C)/C(N)=N/O)ccc1Br
InChIInChI=1S/C11H16BrN3O2/c1-7(11(13)15-16)6-14-8-3-4-9(12)10(5-8)17-2/h3-5,7,14,16H,6H2,1-2H3,(H2,13,15)
InChIKeyUKPIBBGQKWGHGL-UHFFFAOYSA-N
XLogP2.25
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-bromo-3-methoxyanilino)-2-methylpropanamide
CID 82867694
2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide
CID 82867913
3-(4-bromo-3-methoxyanilino)-2-methylpropanoic acid
CID 82867283
2-acetamido-3-(4-bromo-3-methoxyanilino)propanoic acid
CID 82867449
N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide
CID 77030216
1-(4-bromo-3-methoxyphenyl)-2-(2-methylpropyl)guanidine
CID 82859981
ethyl 4-(4-bromo-3-methoxyanilino)-3-hydroxybutanoate
CID 103261940
1-(4-bromo-3-methoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 82860837
2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide
CID 79493197
(2R)-1-(3,4-dimethoxyanilino)propan-2-ol
CID 39242812
2-[(4-chloro-3-methoxyanilino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 107622049
2-(4-bromo-3-methoxyanilino)acetic acid
CID 82868181

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide (CID 82868251) is 3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide is COc1cc(NCC(C)/C(N)=N/O)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is UKPIBBGQKWGHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-7(11(13)15-16)6-14-8-3-4-9(12)10(5-8)17-2/h3-5,7,14,16H,6H2,1-2H3,(H2,13,15).
What are the key properties of 3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide?
3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 302.17 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 82868251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).