4-chloro-N-hydroxy-3,5-dinitrobenzamide

C7H4ClN3O6 — CID 71370589

IUPAC4-chloro-N-hydroxy-3,5-dinitrobenzamide
SMILESO=C(NO)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H4ClN3O6/c8-6-4(10(14)15)1-3(7(12)9-13)2-5(6)11(16)17/h1-2,13H,(H,9,12)
InChIKeyNUENPCXOUNMMKV-UHFFFAOYSA-N
MW261.58 g/mol
LogP1.28
Rot. Bonds3

About 4-chloro-N-hydroxy-3,5-dinitrobenzamide

4-chloro-N-hydroxy-3,5-dinitrobenzamide (PubChem CID 71370589) has the molecular formula C7H4ClN3O6 and a molecular weight of 261.58 g/mol. Its IUPAC name is 4-chloro-N-hydroxy-3,5-dinitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-hydroxy-3,5-dinitrobenzamide
PubChem CID71370589
Molecular FormulaC7H4ClN3O6
Molecular Weight261.58 g/mol
Exact Mass260.98
IUPAC Name4-chloro-N-hydroxy-3,5-dinitrobenzamide
SMILESO=C(NO)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H4ClN3O6/c8-6-4(10(14)15)1-3(7(12)9-13)2-5(6)11(16)17/h1-2,13H,(H,9,12)
InChIKeyNUENPCXOUNMMKV-UHFFFAOYSA-N
XLogP1.28
TPSA135.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.58
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3,5-dinitro-N-propan-2-ylbenzamide
CID 4628263
4-chloro-3,5-dinitrobenzoyl chloride
CID 23451564
4-chloro-N-(2-hydroxyethyl)-3,5-dinitrobenzamide
CID 10517565
3,4-dichloro-N-methyl-5-nitrobenzamide
CID 43215307
4-chloro-N-(2-iodophenyl)-3,5-dinitrobenzamide
CID 4629817
methyl 4-[(4-chloro-3,5-dinitrobenzoyl)amino]benzoate
CID 4633777
4-chloro-N-(2-chloro-3-pyridinyl)-3,5-dinitrobenzamide
CID 4549997
N-(2-amino-2-oxoethyl)-3,4-dichloro-5-nitrobenzamide
CID 43216293
4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen
CID 176693426
4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3523011
4-chloro-N-[3-(diethylamino)propyl]-3,5-dinitrobenzamide
CID 4634092
N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide
CID 43215256

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-hydroxy-3,5-dinitrobenzamide?
The IUPAC name of 4-chloro-N-hydroxy-3,5-dinitrobenzamide (CID 71370589) is 4-chloro-N-hydroxy-3,5-dinitrobenzamide.
What is the SMILES notation for 4-chloro-N-hydroxy-3,5-dinitrobenzamide?
The canonical SMILES for 4-chloro-N-hydroxy-3,5-dinitrobenzamide is O=C(NO)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-hydroxy-3,5-dinitrobenzamide?
The InChIKey is NUENPCXOUNMMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O6/c8-6-4(10(14)15)1-3(7(12)9-13)2-5(6)11(16)17/h1-2,13H,(H,9,12).
What are the key properties of 4-chloro-N-hydroxy-3,5-dinitrobenzamide?
4-chloro-N-hydroxy-3,5-dinitrobenzamide has a molecular weight of 261.58 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hydroxy-3,5-dinitrobenzamide is sourced from PubChem (CID 71370589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).