2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride

C8H12Cl3N3O — CID 159447915

IUPAC2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride
SMILESCl.Cl.NC(CNc1cccc(Cl)c1)=NO
InChIInChI=1S/C8H10ClN3O.2ClH/c9-6-2-1-3-7(4-6)11-5-8(10)12-13;;/h1-4,11,13H,5H2,(H2,10,12);2*1H
InChIKeyLSZMBTSIYMRWCM-UHFFFAOYSA-N
MW272.56 g/mol
LogP2.34
Rot. Bonds3

About 2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride

2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride (PubChem CID 159447915) has the molecular formula C8H12Cl3N3O and a molecular weight of 272.56 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride.

Molecular Properties

Compound Name2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride
PubChem CID159447915
Molecular FormulaC8H12Cl3N3O
Molecular Weight272.56 g/mol
Exact Mass271.00
IUPAC Name2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride
SMILESCl.Cl.NC(CNc1cccc(Cl)c1)=NO
InChIInChI=1S/C8H10ClN3O.2ClH/c9-6-2-1-3-7(4-6)11-5-8(10)12-13;;/h1-4,11,13H,5H2,(H2,10,12);2*1H
InChIKeyLSZMBTSIYMRWCM-UHFFFAOYSA-N
XLogP2.34
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.56
LogP ≤ 52.34
H-Bond Donors ≤ 53
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

2-(3-chloroanilino)ethanethioamide
CID 82076448
1-(3-chloroanilino)propan-2-one
CID 21364413
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
2-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239
2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide
CID 81270434
(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
3-chloro-N-(2-methylidenebutyl)aniline
CID 66044968
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride
CID 156589611
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
4-(3-chloroanilino)butanamide
CID 67066977

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride?
The IUPAC name of 2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride (CID 159447915) is 2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride.
What is the SMILES notation for 2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride?
The canonical SMILES for 2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride is Cl.Cl.NC(CNc1cccc(Cl)c1)=NO.
What is the InChIKey of 2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride?
The InChIKey is LSZMBTSIYMRWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O.2ClH/c9-6-2-1-3-7(4-6)11-5-8(10)12-13;;/h1-4,11,13H,5H2,(H2,10,12);2*1H.
What are the key properties of 2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride?
2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride has a molecular weight of 272.56 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride is sourced from PubChem (CID 159447915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).