2-chloro-3-iodo-6-nitrobenzamide

C7H4ClIN2O3 — CID 171004630

IUPAC2-chloro-3-iodo-6-nitrobenzamide
SMILESNC(=O)c1c([N+](=O)[O-])ccc(I)c1Cl
InChIInChI=1S/C7H4ClIN2O3/c8-6-3(9)1-2-4(11(13)14)5(6)7(10)12/h1-2H,(H2,10,12)
InChIKeyQIAPGEFWRHZZEG-UHFFFAOYSA-N
MW326.48 g/mol
LogP1.95
Rot. Bonds2

About 2-chloro-3-iodo-6-nitrobenzamide

2-chloro-3-iodo-6-nitrobenzamide (PubChem CID 171004630) has the molecular formula C7H4ClIN2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-chloro-3-iodo-6-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-3-iodo-6-nitrobenzamide
PubChem CID171004630
Molecular FormulaC7H4ClIN2O3
Molecular Weight326.48 g/mol
Exact Mass325.90
IUPAC Name2-chloro-3-iodo-6-nitrobenzamide
SMILESNC(=O)c1c([N+](=O)[O-])ccc(I)c1Cl
InChIInChI=1S/C7H4ClIN2O3/c8-6-3(9)1-2-4(11(13)14)5(6)7(10)12/h1-2H,(H2,10,12)
InChIKeyQIAPGEFWRHZZEG-UHFFFAOYSA-N
XLogP1.95
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

3-chloro-2-methyl-6-nitrobenzamide
CID 131072971
2-formyl-6-iodo-3-nitrobenzamide
CID 171016348
2-chloro-5-iodo-4-nitrobenzamide
CID 171004893
4-chloro-5-iodo-2-nitrobenzamide
CID 171004894
2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
2,6-dimethyl-3-nitrobenzamide
CID 118992531
2,6-difluoro-3-nitrobenzamide
CID 2780101
6-cyano-3-iodo-2-nitrobenzamide
CID 171025880
2-iodo-6-nitro-4-(trifluoromethyl)benzamide
CID 171018413
2-iodo-4-methoxy-6-nitrobenzamide
CID 171012295
2,6-diiodo-3-nitrophenol
CID 54168708
azanium 2-carbamoyl-3-nitrobenzoate
CID 22626949

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-iodo-6-nitrobenzamide?
The IUPAC name of 2-chloro-3-iodo-6-nitrobenzamide (CID 171004630) is 2-chloro-3-iodo-6-nitrobenzamide.
What is the SMILES notation for 2-chloro-3-iodo-6-nitrobenzamide?
The canonical SMILES for 2-chloro-3-iodo-6-nitrobenzamide is NC(=O)c1c([N+](=O)[O-])ccc(I)c1Cl.
What is the InChIKey of 2-chloro-3-iodo-6-nitrobenzamide?
The InChIKey is QIAPGEFWRHZZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2O3/c8-6-3(9)1-2-4(11(13)14)5(6)7(10)12/h1-2H,(H2,10,12).
What are the key properties of 2-chloro-3-iodo-6-nitrobenzamide?
2-chloro-3-iodo-6-nitrobenzamide has a molecular weight of 326.48 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-iodo-6-nitrobenzamide is sourced from PubChem (CID 171004630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).