2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride

C8H10Cl2N4O — CID 15945677

IUPAC2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride
SMILESCl.NC(N)=NNC(=O)c1ccccc1Cl
InChIInChI=1S/C8H9ClN4O.ClH/c9-6-4-2-1-3-5(6)7(14)12-13-8(10)11;/h1-4H,(H,12,14)(H4,10,11,13);1H
InChIKeyLDCJTZXJLSXWEL-UHFFFAOYSA-N
MW249.10 g/mol
LogP0.68
Rot. Bonds2

About 2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride

2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride (PubChem CID 15945677) has the molecular formula C8H10Cl2N4O and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride
PubChem CID15945677
Molecular FormulaC8H10Cl2N4O
Molecular Weight249.10 g/mol
Exact Mass248.02
IUPAC Name2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride
SMILESCl.NC(N)=NNC(=O)c1ccccc1Cl
InChIInChI=1S/C8H9ClN4O.ClH/c9-6-4-2-1-3-5(6)7(14)12-13-8(10)11;/h1-4H,(H,12,14)(H4,10,11,13);1H
InChIKeyLDCJTZXJLSXWEL-UHFFFAOYSA-N
XLogP0.68
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 50.68
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride?
The IUPAC name of 2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride (CID 15945677) is 2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride is Cl.NC(N)=NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride?
The InChIKey is LDCJTZXJLSXWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O.ClH/c9-6-4-2-1-3-5(6)7(14)12-13-8(10)11;/h1-4H,(H,12,14)(H4,10,11,13);1H.
What are the key properties of 2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride?
2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride has a molecular weight of 249.10 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride is sourced from PubChem (CID 15945677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).