5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide

C12H15BrN2O3 — CID 106929693

IUPAC5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1OCOCC1CC1
InChIInChI=1S/C12H15BrN2O3/c13-9-3-4-11(10(5-9)12(14)15-16)18-7-17-6-8-1-2-8/h3-5,8,16H,1-2,6-7H2,(H2,14,15)
InChIKeyYWJMIQWSZYUHPA-UHFFFAOYSA-N
MW315.17 g/mol
LogP2.31
Rot. Bonds6

About 5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide

5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 106929693) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID106929693
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1OCOCC1CC1
InChIInChI=1S/C12H15BrN2O3/c13-9-3-4-11(10(5-9)12(14)15-16)18-7-17-6-8-1-2-8/h3-5,8,16H,1-2,6-7H2,(H2,14,15)
InChIKeyYWJMIQWSZYUHPA-UHFFFAOYSA-N
XLogP2.31
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol
CID 106929847
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 107278940
[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929795
5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 114892765
5-bromo-N'-hydroxy-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 114892744
5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 83136108
2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939071
5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892588
5-bromo-N'-hydroxy-2-[(1-methyltriazol-4-yl)methoxy]benzenecarboximidamide
CID 107043336
5-bromo-2-(2-bromophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892710
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide (CID 106929693) is 5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(Br)ccc1OCOCC1CC1.
What is the InChIKey of 5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is YWJMIQWSZYUHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-9-3-4-11(10(5-9)12(14)15-16)18-7-17-6-8-1-2-8/h3-5,8,16H,1-2,6-7H2,(H2,14,15).
What are the key properties of 5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide?
5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 315.17 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 106929693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).