2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide

C11H13BrN2O2 — CID 107278940

IUPAC2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCC2CC2)cc1Br
InChIInChI=1S/C11H13BrN2O2/c12-10-5-8(16-6-7-1-2-7)3-4-9(10)11(13)14-15/h3-5,7,15H,1-2,6H2,(H2,13,14)
InChIKeyNDYLCXYCXDFLRV-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.33
Rot. Bonds4

About 2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide

2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 107278940) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID107278940
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCC2CC2)cc1Br
InChIInChI=1S/C11H13BrN2O2/c12-10-5-8(16-6-7-1-2-7)3-4-9(10)11(13)14-15/h3-5,7,15H,1-2,6H2,(H2,13,14)
InChIKeyNDYLCXYCXDFLRV-UHFFFAOYSA-N
XLogP2.33
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.33
H-Bond Donors ≤ 52
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

2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107278941
2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939071
2-bromo-4-(cyclopropylmethoxy)aniline
CID 97179592
2-bromo-4-heptoxy-N'-hydroxybenzenecarboximidamide
CID 107278949
2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107279022
2-bromo-N'-hydroxy-4-(3-phenylpropoxy)benzenecarboximidamide
CID 107278992
2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107278882
2-amino-5-(cyclopropylmethoxy)benzamide
CID 61305267
2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol
CID 151817566
2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide
CID 107279013
2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279000
5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 106929693

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide (CID 107278940) is 2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(OCC2CC2)cc1Br.
What is the InChIKey of 2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is NDYLCXYCXDFLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-10-5-8(16-6-7-1-2-7)3-4-9(10)11(13)14-15/h3-5,7,15H,1-2,6H2,(H2,13,14).
What are the key properties of 2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide?
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 285.14 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107278940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).