2-chloro-5-iodo-4-nitrobenzamide

C7H4ClIN2O3 — CID 171004893

IUPAC2-chloro-5-iodo-4-nitrobenzamide
SMILESNC(=O)c1cc(I)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C7H4ClIN2O3/c8-4-2-6(11(13)14)5(9)1-3(4)7(10)12/h1-2H,(H2,10,12)
InChIKeyQZPGVEHEMTZOKG-UHFFFAOYSA-N
MW326.48 g/mol
LogP1.95
Rot. Bonds2

About 2-chloro-5-iodo-4-nitrobenzamide

2-chloro-5-iodo-4-nitrobenzamide (PubChem CID 171004893) has the molecular formula C7H4ClIN2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-chloro-5-iodo-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-5-iodo-4-nitrobenzamide
PubChem CID171004893
Molecular FormulaC7H4ClIN2O3
Molecular Weight326.48 g/mol
Exact Mass325.90
IUPAC Name2-chloro-5-iodo-4-nitrobenzamide
SMILESNC(=O)c1cc(I)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C7H4ClIN2O3/c8-4-2-6(11(13)14)5(9)1-3(4)7(10)12/h1-2H,(H2,10,12)
InChIKeyQZPGVEHEMTZOKG-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

2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
4-chloro-5-iodo-2-nitrobenzamide
CID 171004894
5-iodo-2-methyl-4-nitrobenzamide
CID 171016017
4,5-dichloro-2-nitrobenzamide
CID 69073651
(2-chloro-5-iodo-4-nitrophenyl)methanamine
CID 171020858
5-chloro-3-iodo-2-nitrobenzamide
CID 171005064
2-chloro-1-(4-chloro-5-iodo-2-nitrophenyl)ethanone
CID 171007369
4-formyl-5-iodo-2-nitrobenzamide
CID 171016271
1-chloro-2-(chloromethyl)-4-iodo-5-nitrobenzene
CID 171006891
4-amino-5-nitrobenzene-1,2-dicarboxamide
CID 146673880
5-formyl-4-iodo-2-nitrobenzamide
CID 171016571
4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride
CID 173240333

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-4-nitrobenzamide?
The IUPAC name of 2-chloro-5-iodo-4-nitrobenzamide (CID 171004893) is 2-chloro-5-iodo-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-5-iodo-4-nitrobenzamide?
The canonical SMILES for 2-chloro-5-iodo-4-nitrobenzamide is NC(=O)c1cc(I)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-5-iodo-4-nitrobenzamide?
The InChIKey is QZPGVEHEMTZOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2O3/c8-4-2-6(11(13)14)5(9)1-3(4)7(10)12/h1-2H,(H2,10,12).
What are the key properties of 2-chloro-5-iodo-4-nitrobenzamide?
2-chloro-5-iodo-4-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-5-iodo-4-nitrobenzamide is sourced from PubChem (CID 171004893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).