N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide

C17H14N2O2 — CID 43188222

IUPACN'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C17H14N2O2/c18-17(19-20)13-8-10-14(11-9-13)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H2,18,19)
InChIKeyDIPCUTACSZFXLA-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.73
Rot. Bonds3

About N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide

N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide (PubChem CID 43188222) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide
PubChem CID43188222
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C17H14N2O2/c18-17(19-20)13-8-10-14(11-9-13)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H2,18,19)
InChIKeyDIPCUTACSZFXLA-UHFFFAOYSA-N
XLogP3.73
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.73
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

N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712587
4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188261
4-naphthalen-1-yloxybenzoyl fluoride
CID 54185707
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
2-naphthalen-2-yl-6-(4-naphthalen-1-yloxyphenyl)naphthalene
CID 71004721
4-naphthalen-1-yloxybenzaldehyde
CID 19069208
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
CID 82799401
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide (CID 43188222) is N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide is N/C(=N\O)c1ccc(Oc2cccc3ccccc23)cc1.
What is the InChIKey of N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide?
The InChIKey is DIPCUTACSZFXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-17(19-20)13-8-10-14(11-9-13)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H2,18,19).
What are the key properties of N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide?
N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide has a molecular weight of 278.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-naphthalen-1-yloxybenzenecarboximidamide is sourced from PubChem (CID 43188222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).