2-(3-chlorophenyl)-N'-hydroxyethanimidamide

C8H9ClN2O — CID 16775239

IUPAC2-(3-chlorophenyl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1cccc(Cl)c1)=N\O
InChIInChI=1S/C8H9ClN2O/c9-7-3-1-2-6(4-7)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
InChIKeyJUTJREHZYDXQBH-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.63
Rot. Bonds2

About 2-(3-chlorophenyl)-N'-hydroxyethanimidamide

2-(3-chlorophenyl)-N'-hydroxyethanimidamide (PubChem CID 16775239) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N'-hydroxyethanimidamide
PubChem CID16775239
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-(3-chlorophenyl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1cccc(Cl)c1)=N\O
InChIInChI=1S/C8H9ClN2O/c9-7-3-1-2-6(4-7)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
InChIKeyJUTJREHZYDXQBH-UHFFFAOYSA-N
XLogP1.63
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.63
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3-chlorophenyl)-N'-hydroxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide
CID 77056910
N'-hydroxy-2-phenylethanimidamide
CID 6074309
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63181484
N'-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)ethanimidamide
CID 67954454
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011840
3-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027177
5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77030098
N'-hydroxy-2-[3-(methylsulfonylmethyl)phenyl]ethanimidamide
CID 76798791
N'-hydroxy-2-(3-nitrophenyl)ethanimidamide
CID 87295846
1-(3-chlorophenyl)propan-2-one
CID 2734097
2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride
CID 159447915

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(3-chlorophenyl)-N'-hydroxyethanimidamide (CID 16775239) is 2-(3-chlorophenyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(3-chlorophenyl)-N'-hydroxyethanimidamide is N/C(Cc1cccc(Cl)c1)=N\O.
What is the InChIKey of 2-(3-chlorophenyl)-N'-hydroxyethanimidamide?
The InChIKey is JUTJREHZYDXQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-7-3-1-2-6(4-7)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11).
What are the key properties of 2-(3-chlorophenyl)-N'-hydroxyethanimidamide?
2-(3-chlorophenyl)-N'-hydroxyethanimidamide has a molecular weight of 184.63 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 16775239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).