2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide

C14H19BrN2O3 — CID 107279013

IUPAC2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide
SMILESCOC1CCCC(Oc2ccc(/C(N)=N/O)c(Br)c2)C1
InChIInChI=1S/C14H19BrN2O3/c1-19-9-3-2-4-10(7-9)20-11-5-6-12(13(15)8-11)14(16)17-18/h5-6,8-10,18H,2-4,7H2,1H3,(H2,16,17)
InChIKeyNQSWRFGOVBQOLY-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.88
Rot. Bonds4

About 2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide

2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide (PubChem CID 107279013) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide
PubChem CID107279013
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide
SMILESCOC1CCCC(Oc2ccc(/C(N)=N/O)c(Br)c2)C1
InChIInChI=1S/C14H19BrN2O3/c1-19-9-3-2-4-10(7-9)20-11-5-6-12(13(15)8-11)14(16)17-18/h5-6,8-10,18H,2-4,7H2,1H3,(H2,16,17)
InChIKeyNQSWRFGOVBQOLY-UHFFFAOYSA-N
XLogP2.88
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
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

1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene
CID 65202671
4-(3-aminocyclohexyl)oxy-2-bromobenzamide
CID 107281575
1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone
CID 104529355
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 107278940
N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81303944
2-bromo-4-heptoxy-N'-hydroxybenzenecarboximidamide
CID 107278949
N'-hydroxy-2-(3-methoxycyclohexyl)oxy-4,6-dimethylpyridine-3-carboximidamide
CID 77016859
methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
CID 106955060
N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 103567551
2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 107536167
5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 107684644
2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
CID 107279012

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide (CID 107279013) is 2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide is COC1CCCC(Oc2ccc(/C(N)=N/O)c(Br)c2)C1.
What is the InChIKey of 2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide?
The InChIKey is NQSWRFGOVBQOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-19-9-3-2-4-10(7-9)20-11-5-6-12(13(15)8-11)14(16)17-18/h5-6,8-10,18H,2-4,7H2,1H3,(H2,16,17).
What are the key properties of 2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide?
2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide has a molecular weight of 343.22 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 107279013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).