4-formyl-5-iodo-2-nitrobenzamide

C8H5IN2O4 — CID 171016271

IUPAC4-formyl-5-iodo-2-nitrobenzamide
SMILESNC(=O)c1cc(I)c(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H5IN2O4/c9-6-2-5(8(10)13)7(11(14)15)1-4(6)3-12/h1-3H,(H2,10,13)
InChIKeyMFLXDZOBEHZHLT-UHFFFAOYSA-N
MW320.04 g/mol
LogP1.11
Rot. Bonds3

About 4-formyl-5-iodo-2-nitrobenzamide

4-formyl-5-iodo-2-nitrobenzamide (PubChem CID 171016271) has the molecular formula C8H5IN2O4 and a molecular weight of 320.04 g/mol. Its IUPAC name is 4-formyl-5-iodo-2-nitrobenzamide.

Molecular Properties

Compound Name4-formyl-5-iodo-2-nitrobenzamide
PubChem CID171016271
Molecular FormulaC8H5IN2O4
Molecular Weight320.04 g/mol
Exact Mass319.93
IUPAC Name4-formyl-5-iodo-2-nitrobenzamide
SMILESNC(=O)c1cc(I)c(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H5IN2O4/c9-6-2-5(8(10)13)7(11(14)15)1-4(6)3-12/h1-3H,(H2,10,13)
InChIKeyMFLXDZOBEHZHLT-UHFFFAOYSA-N
XLogP1.11
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.04
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

5-formyl-4-iodo-2-nitrobenzamide
CID 171016571
4-chloro-5-iodo-2-nitrobenzamide
CID 171004894
3-formyl-2-iodo-5-nitrobenzamide
CID 171016570
2-chloro-5-iodo-4-nitrobenzamide
CID 171004893
5-iodo-2-methyl-4-nitrobenzamide
CID 171016017
4,5-dichloro-2-nitrobenzamide
CID 69073651
2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
5-formyl-2-iodo-4-methoxybenzamide
CID 171015652
2-formyl-6-iodo-3-nitrobenzamide
CID 171016348
5-acetyl-2-formyl-4-nitrobenzonitrile
CID 171018588
4-amino-5-nitrobenzene-1,2-dicarboxamide
CID 146673880
2-amino-4,5-dinitrobenzamide
CID 119012907

Frequently Asked Questions

What is the IUPAC name of 4-formyl-5-iodo-2-nitrobenzamide?
The IUPAC name of 4-formyl-5-iodo-2-nitrobenzamide (CID 171016271) is 4-formyl-5-iodo-2-nitrobenzamide.
What is the SMILES notation for 4-formyl-5-iodo-2-nitrobenzamide?
The canonical SMILES for 4-formyl-5-iodo-2-nitrobenzamide is NC(=O)c1cc(I)c(C=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-formyl-5-iodo-2-nitrobenzamide?
The InChIKey is MFLXDZOBEHZHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O4/c9-6-2-5(8(10)13)7(11(14)15)1-4(6)3-12/h1-3H,(H2,10,13).
What are the key properties of 4-formyl-5-iodo-2-nitrobenzamide?
4-formyl-5-iodo-2-nitrobenzamide has a molecular weight of 320.04 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-5-iodo-2-nitrobenzamide is sourced from PubChem (CID 171016271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).