5-iodo-2-methyl-4-nitrobenzamide

C8H7IN2O3 — CID 171016017

IUPAC5-iodo-2-methyl-4-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])c(I)cc1C(N)=O
InChIInChI=1S/C8H7IN2O3/c1-4-2-7(11(13)14)6(9)3-5(4)8(10)12/h2-3H,1H3,(H2,10,12)
InChIKeyFEDDNMGYNNPOKQ-UHFFFAOYSA-N
MW306.06 g/mol
LogP1.61
Rot. Bonds2

About 5-iodo-2-methyl-4-nitrobenzamide

5-iodo-2-methyl-4-nitrobenzamide (PubChem CID 171016017) has the molecular formula C8H7IN2O3 and a molecular weight of 306.06 g/mol. Its IUPAC name is 5-iodo-2-methyl-4-nitrobenzamide.

Molecular Properties

Compound Name5-iodo-2-methyl-4-nitrobenzamide
PubChem CID171016017
Molecular FormulaC8H7IN2O3
Molecular Weight306.06 g/mol
Exact Mass305.95
IUPAC Name5-iodo-2-methyl-4-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])c(I)cc1C(N)=O
InChIInChI=1S/C8H7IN2O3/c1-4-2-7(11(13)14)6(9)3-5(4)8(10)12/h2-3H,1H3,(H2,10,12)
InChIKeyFEDDNMGYNNPOKQ-UHFFFAOYSA-N
XLogP1.61
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.06
LogP ≤ 51.61
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
2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
4-chloro-5-iodo-2-nitrobenzamide
CID 171004894
5-chloro-4-iodo-2-methylbenzamide
CID 171003750
4-chloro-5-iodo-2-methylbenzamide
CID 171003552
4-formyl-5-iodo-2-nitrobenzamide
CID 171016271
2-fluoro-5-methyl-4-nitrobenzamide
CID 130894297
2,5-dimethyl-3-nitrobenzamide
CID 119008464
5-formyl-4-iodo-2-nitrobenzamide
CID 171016571
4,5-dichloro-2-nitrobenzamide
CID 69073651
ethane;4-methyl-3-nitrobenzamide
CID 143806264
ethyl 5-bromo-2-methyl-4-nitrobenzoate
CID 134633548

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-4-nitrobenzamide?
The IUPAC name of 5-iodo-2-methyl-4-nitrobenzamide (CID 171016017) is 5-iodo-2-methyl-4-nitrobenzamide.
What is the SMILES notation for 5-iodo-2-methyl-4-nitrobenzamide?
The canonical SMILES for 5-iodo-2-methyl-4-nitrobenzamide is Cc1cc([N+](=O)[O-])c(I)cc1C(N)=O.
What is the InChIKey of 5-iodo-2-methyl-4-nitrobenzamide?
The InChIKey is FEDDNMGYNNPOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O3/c1-4-2-7(11(13)14)6(9)3-5(4)8(10)12/h2-3H,1H3,(H2,10,12).
What are the key properties of 5-iodo-2-methyl-4-nitrobenzamide?
5-iodo-2-methyl-4-nitrobenzamide has a molecular weight of 306.06 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-4-nitrobenzamide is sourced from PubChem (CID 171016017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).