2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide

C8H7ClIN3O2 — CID 22446949

IUPAC2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide
SMILESNC(N)=NC(=O)c1cc(I)c(O)cc1Cl
InChIInChI=1S/C8H7ClIN3O2/c9-4-2-6(14)5(10)1-3(4)7(15)13-8(11)12/h1-2,14H,(H4,11,12,13,15)
InChIKeyKZHGSJZCESNQQB-UHFFFAOYSA-N
MW339.52 g/mol
LogP1.06
Rot. Bonds1

About 2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide

2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide (PubChem CID 22446949) has the molecular formula C8H7ClIN3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide.

Molecular Properties

Compound Name2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide
PubChem CID22446949
Molecular FormulaC8H7ClIN3O2
Molecular Weight339.52 g/mol
Exact Mass338.93
IUPAC Name2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide
SMILESNC(N)=NC(=O)c1cc(I)c(O)cc1Cl
InChIInChI=1S/C8H7ClIN3O2/c9-4-2-6(14)5(10)1-3(4)7(15)13-8(11)12/h1-2,14H,(H4,11,12,13,15)
InChIKeyKZHGSJZCESNQQB-UHFFFAOYSA-N
XLogP1.06
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 51.06
H-Bond Donors ≤ 53
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-chloro-N-(diaminomethylidene)benzamide
CID 11806026
2-chloro-N-(diaminomethylidene)-5-(fluoromethyl)-4-methoxybenzamide
CID 139743685
2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride
CID 22376922
7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide
CID 146032619
4-chloro-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide
CID 10517570
2,5-diiodobenzene-1,4-diol
CID 18504287
4-chloro-N-(diaminomethylidene)-2-methyl-5-(trifluoromethoxy)benzamide
CID 18925745
4-(4-aminopiperidin-1-yl)-2-chloro-N-(diaminomethylidene)-5-methylsulfonylbenzamide
CID 10523414
4-(benzimidazol-1-yl)-2-chloro-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
CID 22996172
4-chloro-5-iodo-2-methylbenzamide
CID 171003552
3-N-(diaminomethylidene)-4-hydroxy-1-N-methylbenzene-1,3-dicarboxamide
CID 146508158
4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride
CID 19096090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide?
The IUPAC name of 2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide (CID 22446949) is 2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide.
What is the SMILES notation for 2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide?
The canonical SMILES for 2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide is NC(N)=NC(=O)c1cc(I)c(O)cc1Cl.
What is the InChIKey of 2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide?
The InChIKey is KZHGSJZCESNQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClIN3O2/c9-4-2-6(14)5(10)1-3(4)7(15)13-8(11)12/h1-2,14H,(H4,11,12,13,15).
What are the key properties of 2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide?
2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide has a molecular weight of 339.52 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide is sourced from PubChem (CID 22446949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).