N'-hydroxy-2-phenylmethoxybenzenecarboximidamide

C14H14N2O2 — CID 27281534

IUPACN'-hydroxy-2-phenylmethoxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1OCc1ccccc1
InChIInChI=1S/C14H14N2O2/c15-14(16-17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H2,15,16)
InChIKeyINLHIGZJNLMVDD-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.36
Rot. Bonds4

About N'-hydroxy-2-phenylmethoxybenzenecarboximidamide

N'-hydroxy-2-phenylmethoxybenzenecarboximidamide (PubChem CID 27281534) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-hydroxy-2-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-phenylmethoxybenzenecarboximidamide
PubChem CID27281534
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN'-hydroxy-2-phenylmethoxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1OCc1ccccc1
InChIInChI=1S/C14H14N2O2/c15-14(16-17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H2,15,16)
InChIKeyINLHIGZJNLMVDD-UHFFFAOYSA-N
XLogP2.36
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.36
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

Pentamidine
CID 4735
Hexamidine
CID 65130
Propamidine
CID 64949
Propamidine dihydrochloride
CID 80467
N'-hydroxy-4-methoxybenzene-1-carboximidamide
CID 5360053
(E)-N'-[(2-ethoxyphenyl)methyl]-3-phenylprop-2-enimidamide
CID 9921785
4,4'-(1,4-Butanediylbis(oxy))bis-benzenecarboximidamide
CID 129419
alpha,alpha'-Di(amidinophenoxy)-p-xylene
CID 3000497
Pentamidine dihydrochloride
CID 10431865
4-(Hexyloxy)-N'-hydroxybenzenecarboximidamide
CID 5363804
p-Methoxybenzamidoxime
CID 21471
Phenamidine
CID 64948

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-phenylmethoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-phenylmethoxybenzenecarboximidamide (CID 27281534) is N'-hydroxy-2-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-phenylmethoxybenzenecarboximidamide is NC(=NO)c1ccccc1OCc1ccccc1.
What is the InChIKey of N'-hydroxy-2-phenylmethoxybenzenecarboximidamide?
The InChIKey is INLHIGZJNLMVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-14(16-17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H2,15,16).
What are the key properties of N'-hydroxy-2-phenylmethoxybenzenecarboximidamide?
N'-hydroxy-2-phenylmethoxybenzenecarboximidamide has a molecular weight of 242.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 27281534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).