sodium;2-nitrobenzamide;chloride;hydrochloride

C7H7Cl2N2NaO3 — CID 67948148

IUPACsodium;2-nitrobenzamide;chloride;hydrochloride
SMILESCl.NC(=O)c1ccccc1[N+](=O)[O-].[Cl-].[Na+]
InChIInChI=1S/C7H6N2O3.2ClH.Na/c8-7(10)5-3-1-2-4-6(5)9(11)12;;;/h1-4H,(H2,8,10);2*1H;/q;;;+1/p-1
InChIKeyIUWARSQRBGCNKK-UHFFFAOYSA-M
MW261.04 g/mol
LogP-4.88
Rot. Bonds2

About sodium;2-nitrobenzamide;chloride;hydrochloride

sodium;2-nitrobenzamide;chloride;hydrochloride (PubChem CID 67948148) has the molecular formula C7H7Cl2N2NaO3 and a molecular weight of 261.04 g/mol. Its IUPAC name is sodium;2-nitrobenzamide;chloride;hydrochloride.

Molecular Properties

Compound Namesodium;2-nitrobenzamide;chloride;hydrochloride
PubChem CID67948148
Molecular FormulaC7H7Cl2N2NaO3
Molecular Weight261.04 g/mol
Exact Mass259.97
IUPAC Namesodium;2-nitrobenzamide;chloride;hydrochloride
SMILESCl.NC(=O)c1ccccc1[N+](=O)[O-].[Cl-].[Na+]
InChIInChI=1S/C7H6N2O3.2ClH.Na/c8-7(10)5-3-1-2-4-6(5)9(11)12;;;/h1-4H,(H2,8,10);2*1H;/q;;;+1/p-1
InChIKeyIUWARSQRBGCNKK-UHFFFAOYSA-M
XLogP-4.88
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.04
LogP ≤ 5-4.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
sodium;hydride;2-nitrobenzoic acid
CID 173210089
benzene;2-nitrobenzoic acid
CID 19891435
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815
[(2-nitrobenzoyl)amino]urea
CID 61061190
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
2-carbamothioyl-3-(2-nitrophenyl)benzamide
CID 87377878
(2-nitrobenzoyl) 2-nitrobenzoate
CID 548654
2-chloro-4-(2-nitrobenzoyl)benzamide
CID 102462059
2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one
CID 54210618
1,2-bis(2-nitrophenyl)ethanone
CID 2750227

Frequently Asked Questions

What is the IUPAC name of sodium;2-nitrobenzamide;chloride;hydrochloride?
The IUPAC name of sodium;2-nitrobenzamide;chloride;hydrochloride (CID 67948148) is sodium;2-nitrobenzamide;chloride;hydrochloride.
What is the SMILES notation for sodium;2-nitrobenzamide;chloride;hydrochloride?
The canonical SMILES for sodium;2-nitrobenzamide;chloride;hydrochloride is Cl.NC(=O)c1ccccc1[N+](=O)[O-].[Cl-].[Na+].
What is the InChIKey of sodium;2-nitrobenzamide;chloride;hydrochloride?
The InChIKey is IUWARSQRBGCNKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N2O3.2ClH.Na/c8-7(10)5-3-1-2-4-6(5)9(11)12;;;/h1-4H,(H2,8,10);2*1H;/q;;;+1/p-1.
What are the key properties of sodium;2-nitrobenzamide;chloride;hydrochloride?
sodium;2-nitrobenzamide;chloride;hydrochloride has a molecular weight of 261.04 g/mol, XLogP of -4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-nitrobenzamide;chloride;hydrochloride is sourced from PubChem (CID 67948148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).