2-chloro-4-iodo-5-nitrobenzamide

C7H4ClIN2O3 — CID 171004738

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

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

2-chloro-4-iodo-5-nitrobenzamide (PubChem CID 171004738) has the molecular formula C7H4ClIN2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-chloro-4-iodo-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-4-iodo-5-nitrobenzamide
PubChem CID171004738
Molecular FormulaC7H4ClIN2O3
Molecular Weight326.48 g/mol
Exact Mass325.90
IUPAC Name2-chloro-4-iodo-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])c(I)cc1Cl
InChIInChI=1S/C7H4ClIN2O3/c8-4-2-5(9)6(11(13)14)1-3(4)7(10)12/h1-2H,(H2,10,12)
InChIKeyPZAPCIHOIGTPDN-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-5-iodo-4-nitrobenzamide
CID 171004893
4-chloro-5-iodo-2-nitrobenzamide
CID 171004894
5-iodo-2-methyl-4-nitrobenzamide
CID 171016017
4,5-dichloro-2-nitrobenzamide
CID 69073651
5-chloro-3-iodo-2-nitrobenzamide
CID 171005064
4-amino-5-nitrobenzene-1,2-dicarboxamide
CID 146673880
1-bromo-2-chloro-4-iodo-5-nitrobenzene
CID 50999507
1-chloro-2-fluoro-5-iodo-4-nitrobenzene
CID 131559689
(2-chloro-4-iodo-5-nitrophenyl)methanamine
CID 171020643
2-chloro-4-fluoro-5-nitrobenzoyl iodide
CID 167464714
4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride
CID 173240333
2-chloro-4-(2-methylpropoxy)-5-nitrobenzamide
CID 112756919

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-5-nitrobenzamide?
The IUPAC name of 2-chloro-4-iodo-5-nitrobenzamide (CID 171004738) is 2-chloro-4-iodo-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-4-iodo-5-nitrobenzamide?
The canonical SMILES for 2-chloro-4-iodo-5-nitrobenzamide is NC(=O)c1cc([N+](=O)[O-])c(I)cc1Cl.
What is the InChIKey of 2-chloro-4-iodo-5-nitrobenzamide?
The InChIKey is PZAPCIHOIGTPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2O3/c8-4-2-5(9)6(11(13)14)1-3(4)7(10)12/h1-2H,(H2,10,12).
What are the key properties of 2-chloro-4-iodo-5-nitrobenzamide?
2-chloro-4-iodo-5-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-4-iodo-5-nitrobenzamide is sourced from PubChem (CID 171004738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).