2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide

C17H13ClN2O — CID 43804671

IUPAC2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H13ClN2O/c18-14-9-10-16(12-6-2-1-5-11(12)14)21-15-8-4-3-7-13(15)17(19)20/h1-10H,(H3,19,20)
InChIKeyREBWWGKVTHHGDI-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.57
Rot. Bonds3

About 2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide

2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide (PubChem CID 43804671) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide
PubChem CID43804671
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H13ClN2O/c18-14-9-10-16(12-6-2-1-5-11(12)14)21-15-8-4-3-7-13(15)17(19)20/h1-10H,(H3,19,20)
InChIKeyREBWWGKVTHHGDI-UHFFFAOYSA-N
XLogP4.57
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide
CID 141195761
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide
CID 43804673
2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 63653288
2-(2-bromophenoxy)benzenecarboximidamide
CID 28601496
2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301
2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide
CID 107658452
4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 63094383
4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide
CID 63092515
2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 55057065
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide (CID 43804671) is 2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide is [H]/N=C(\N)c1ccccc1Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide?
The InChIKey is REBWWGKVTHHGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-14-9-10-16(12-6-2-1-5-11(12)14)21-15-8-4-3-7-13(15)17(19)20/h1-10H,(H3,19,20).
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide?
2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide has a molecular weight of 296.76 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 43804671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).