2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride

C8H8Cl2N2O — CID 67803118

IUPAC2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(=O)c1ccccc1Cl
InChIInChI=1S/C8H7ClN2O.ClH/c9-6-4-2-1-3-5(6)7(12)8(10)11;/h1-4H,(H3,10,11);1H
InChIKeyXMZTVANFSSKSBR-UHFFFAOYSA-N
MW219.07 g/mol
LogP1.88
Rot. Bonds2

About 2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride

2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride (PubChem CID 67803118) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride
PubChem CID67803118
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(=O)c1ccccc1Cl
InChIInChI=1S/C8H7ClN2O.ClH/c9-6-4-2-1-3-5(6)7(12)8(10)11;/h1-4H,(H3,10,11);1H
InChIKeyXMZTVANFSSKSBR-UHFFFAOYSA-N
XLogP1.88
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 51.88
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'}

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Related Compounds

2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide
CID 11392192
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
3-chloro-2-(methylideneamino)benzenecarboximidamide
CID 169150849
2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride
CID 141168429
2-(2-chlorophenyl)-N-methyl-2-oxoacetamide
CID 140990273
N-carbamoyl-2-chloro-N-(2-chlorobenzoyl)benzamide
CID 70407474
2-chlorobenzenecarbothioamide
CID 139147259
2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone
CID 123720309
ethyl 2-[2-(2-chlorophenyl)-2-oxoacetyl]benzoate
CID 102105830
[(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium
CID 6343021
N-carbamothioyl-2-chlorobenzamide
CID 3909253
2-(2,6-dichlorophenyl)benzamide
CID 67032434

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride (CID 67803118) is 2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride?
The InChIKey is XMZTVANFSSKSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O.ClH/c9-6-4-2-1-3-5(6)7(12)8(10)11;/h1-4H,(H3,10,11);1H.
What are the key properties of 2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride?
2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride has a molecular weight of 219.07 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride is sourced from PubChem (CID 67803118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).