2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride

C8H9Cl3N2O2 — CID 5493104

IUPAC2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride
SMILESCl.N/C(=N/O)C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N2O2.ClH/c9-5-2-1-4(3-6(5)10)7(13)8(11)12-14;/h1-3,7,13-14H,(H2,11,12);1H
InChIKeyMBAOGTJBCFRWTK-UHFFFAOYSA-N
MW271.53 g/mol
LogP2.19
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride

2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride (PubChem CID 5493104) has the molecular formula C8H9Cl3N2O2 and a molecular weight of 271.53 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride
PubChem CID5493104
Molecular FormulaC8H9Cl3N2O2
Molecular Weight271.53 g/mol
Exact Mass269.97
IUPAC Name2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride
SMILESCl.N/C(=N/O)C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N2O2.ClH/c9-5-2-1-4(3-6(5)10)7(13)8(11)12-14;/h1-3,7,13-14H,(H2,11,12);1H
InChIKeyMBAOGTJBCFRWTK-UHFFFAOYSA-N
XLogP2.19
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.53
LogP ≤ 52.19
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

1-(3,4-dichlorophenyl)-1-hydroxypropane-2-thione
CID 174744107
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
CID 140626356
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
1,2-dichloro-4-[chloro-[chloro-(3,4-dichlorophenyl)methyl]sulfanylmethyl]benzene
CID 159143973
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
(3,4-dichlorophenyl)-hydroxymethanesulfonic acid
CID 103574429
[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 137375869
(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
CID 71515954

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride (CID 5493104) is 2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride is Cl.N/C(=N/O)C(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride?
The InChIKey is MBAOGTJBCFRWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2.ClH/c9-5-2-1-4(3-6(5)10)7(13)8(11)12-14;/h1-3,7,13-14H,(H2,11,12);1H.
What are the key properties of 2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride?
2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride has a molecular weight of 271.53 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride is sourced from PubChem (CID 5493104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).