bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate

C14H18Cl2N4O4 — CID 139071341

IUPACbis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
SMILESN/C(=N\O)c1ccccc1Cl.N/C(=N\O)c1ccccc1Cl.O.O
InChIInChI=1S/2C7H7ClN2O.2H2O/c2*8-6-4-2-1-3-5(6)7(9)10-11;;/h2*1-4,11H,(H2,9,10);2*1H2
InChIKeyWTJAWCXJMIUDBT-UHFFFAOYSA-N
MW377.23 g/mol
LogP1.22
Rot. Bonds2

About bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate

bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate (PubChem CID 139071341) has the molecular formula C14H18Cl2N4O4 and a molecular weight of 377.23 g/mol. Its IUPAC name is bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate.

Molecular Properties

Compound Namebis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
PubChem CID139071341
Molecular FormulaC14H18Cl2N4O4
Molecular Weight377.23 g/mol
Exact Mass376.07
IUPAC Namebis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
SMILESN/C(=N\O)c1ccccc1Cl.N/C(=N\O)c1ccccc1Cl.O.O
InChIInChI=1S/2C7H7ClN2O.2H2O/c2*8-6-4-2-1-3-5(6)7(9)10-11;;/h2*1-4,11H,(H2,9,10);2*1H2
InChIKeyWTJAWCXJMIUDBT-UHFFFAOYSA-N
XLogP1.22
TPSA180.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate 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-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
N',2-dihydroxybenzenecarboximidamide
CID 4227476
2-chloro-N'-methylbenzenecarboximidamide;hydrochloride
CID 110209427
2-[(2-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026856
N'-hydroxy-2-iodobenzenecarboximidamide
CID 6269117
4-amino-2-chloro-N'-hydroxybenzenecarboximidamide
CID 58182009
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
N'-hydroxy-2-propan-2-ylbenzenecarboximidamide
CID 83386252
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide
CID 46205174
2-chlorobenzenecarbothioamide
CID 139147259
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate?
The IUPAC name of bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate (CID 139071341) is bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate.
What is the SMILES notation for bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate?
The canonical SMILES for bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate is N/C(=N\O)c1ccccc1Cl.N/C(=N\O)c1ccccc1Cl.O.O.
What is the InChIKey of bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate?
The InChIKey is WTJAWCXJMIUDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7ClN2O.2H2O/c2*8-6-4-2-1-3-5(6)7(9)10-11;;/h2*1-4,11H,(H2,9,10);2*1H2.
What are the key properties of bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate?
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate has a molecular weight of 377.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate is sourced from PubChem (CID 139071341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).