2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide

C10H13ClN2O — CID 139317840

IUPAC2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide
SMILESCC/N=C(\NO)c1cccc(C)c1Cl
InChIInChI=1S/C10H13ClN2O/c1-3-12-10(13-14)8-6-4-5-7(2)9(8)11/h4-6,14H,3H2,1-2H3,(H,12,13)
InChIKeyMJEHGSNZLJKLHK-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.39
Rot. Bonds2

About 2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide

2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 139317840) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide
PubChem CID139317840
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide
SMILESCC/N=C(\NO)c1cccc(C)c1Cl
InChIInChI=1S/C10H13ClN2O/c1-3-12-10(13-14)8-6-4-5-7(2)9(8)11/h4-6,14H,3H2,1-2H3,(H,12,13)
InChIKeyMJEHGSNZLJKLHK-UHFFFAOYSA-N
XLogP2.39
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide (CID 139317840) is 2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide is CC/N=C(\NO)c1cccc(C)c1Cl.
What is the InChIKey of 2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is MJEHGSNZLJKLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-3-12-10(13-14)8-6-4-5-7(2)9(8)11/h4-6,14H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide?
2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 212.68 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-ethyl-N-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 139317840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).