3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide

C17H13ClN2O — CID 139070829

IUPAC3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide
SMILESON/C(=N\c1cccc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O/c18-14-8-3-7-13(11-14)17(20-21)19-16-10-4-6-12-5-1-2-9-15(12)16/h1-11,21H,(H,19,20)
InChIKeyVYIHCTMJFHSOKS-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.55
Rot. Bonds2

About 3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide

3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide (PubChem CID 139070829) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide
PubChem CID139070829
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide
SMILESON/C(=N\c1cccc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O/c18-14-8-3-7-13(11-14)17(20-21)19-16-10-4-6-12-5-1-2-9-15(12)16/h1-11,21H,(H,19,20)
InChIKeyVYIHCTMJFHSOKS-UHFFFAOYSA-N
XLogP4.55
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.55
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzamidine, o-chloro-N-2-naphthyl-
CID 211761
1-Naphthalenecarboximidamide, N-(4-chlorophenyl)-
CID 211743
Benzamidine, o-chloro-N-1-naphthyl-
CID 211760
3-Chloro-N-hydroxy-N'-phenyl-benzamidine
CID 615189
N'-(Naphthalen-1-yl)benzenecarboximidamide
CID 12421762
3-Naphthalen-1-yliminoisoindol-1-amine
CID 13516275
N-(Naphthalen-1-yl)benzenecarboximidoyl chloride
CID 15620195
(NE)-N-[1-(2-amino-6-fluoro-3H-indol-4-yl)-2-(3-chlorophenyl)ethylidene]hydroxylamine
CID 172922697
(NE)-N-[1-(2-amino-7-fluoro-3H-indol-4-yl)-2-(3-chlorophenyl)ethylidene]hydroxylamine
CID 172948937
N-alpha-naphthylbenzamidoxime
CID 129845245
N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide
CID 57414686
(NE)-N-[1-(2-amino-6-fluoro-3H-indol-4-yl)-2-(3-chloro-4-fluorophenyl)ethylidene]hydroxylamine
CID 172963864

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide?
The IUPAC name of 3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide (CID 139070829) is 3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide.
What is the SMILES notation for 3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide?
The canonical SMILES for 3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide is ON/C(=N\c1cccc2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide?
The InChIKey is VYIHCTMJFHSOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-14-8-3-7-13(11-14)17(20-21)19-16-10-4-6-12-5-1-2-9-15(12)16/h1-11,21H,(H,19,20).
What are the key properties of 3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide?
3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide has a molecular weight of 296.76 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-hydroxy-N'-naphthalen-1-ylbenzenecarboximidamide is sourced from PubChem (CID 139070829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).