2-iodo-4-methoxy-6-nitrobenzamide

C8H7IN2O4 — CID 171012295

IUPAC2-iodo-4-methoxy-6-nitrobenzamide
SMILESCOc1cc(I)c(C(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H7IN2O4/c1-15-4-2-5(9)7(8(10)12)6(3-4)11(13)14/h2-3H,1H3,(H2,10,12)
InChIKeyYBZIWHIVRUUFFP-UHFFFAOYSA-N
MW322.06 g/mol
LogP1.31
Rot. Bonds3

About 2-iodo-4-methoxy-6-nitrobenzamide

2-iodo-4-methoxy-6-nitrobenzamide (PubChem CID 171012295) has the molecular formula C8H7IN2O4 and a molecular weight of 322.06 g/mol. Its IUPAC name is 2-iodo-4-methoxy-6-nitrobenzamide.

Molecular Properties

Compound Name2-iodo-4-methoxy-6-nitrobenzamide
PubChem CID171012295
Molecular FormulaC8H7IN2O4
Molecular Weight322.06 g/mol
Exact Mass321.95
IUPAC Name2-iodo-4-methoxy-6-nitrobenzamide
SMILESCOc1cc(I)c(C(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H7IN2O4/c1-15-4-2-5(9)7(8(10)12)6(3-4)11(13)14/h2-3H,1H3,(H2,10,12)
InChIKeyYBZIWHIVRUUFFP-UHFFFAOYSA-N
XLogP1.31
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.06
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-iodo-5-methoxy-2-methyl-3-nitrobenzene
CID 130090732
2-chloro-6-iodo-4-methoxybenzamide
CID 171003230
2-hydroxy-4-methoxy-6-nitrobenzoic acid
CID 170739780
2,4-dimethoxy-6-nitrobenzoic acid
CID 4913003
2-bromo-1-(2-bromo-4-methoxy-6-nitrophenyl)ethanone
CID 171007807
4-formyl-2-methoxy-6-nitrobenzamide
CID 171023035
2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol
CID 159513130
2-(2-bromo-4-methoxy-6-nitrophenyl)acetic acid
CID 171007604
ethyl 2-[2-(bromomethyl)-4-methoxy-6-nitrophenyl]acetate
CID 171018623
(4-methoxy-2-nitrophenyl) 2-iodobenzoate
CID 55340774
methyl 4-cyano-2-iodo-6-nitrobenzoate
CID 131465533
methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate
CID 171030688

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methoxy-6-nitrobenzamide?
The IUPAC name of 2-iodo-4-methoxy-6-nitrobenzamide (CID 171012295) is 2-iodo-4-methoxy-6-nitrobenzamide.
What is the SMILES notation for 2-iodo-4-methoxy-6-nitrobenzamide?
The canonical SMILES for 2-iodo-4-methoxy-6-nitrobenzamide is COc1cc(I)c(C(N)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-iodo-4-methoxy-6-nitrobenzamide?
The InChIKey is YBZIWHIVRUUFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O4/c1-15-4-2-5(9)7(8(10)12)6(3-4)11(13)14/h2-3H,1H3,(H2,10,12).
What are the key properties of 2-iodo-4-methoxy-6-nitrobenzamide?
2-iodo-4-methoxy-6-nitrobenzamide has a molecular weight of 322.06 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methoxy-6-nitrobenzamide is sourced from PubChem (CID 171012295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).