2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide

C11H13IN2O4 — CID 113304510

IUPAC2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide
SMILESCC(C)CONC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C11H13IN2O4/c1-7(2)6-18-13-11(15)9-5-8(14(16)17)3-4-10(9)12/h3-5,7H,6H2,1-2H3,(H,13,15)
InChIKeyZXZRQQGVNNLEGO-UHFFFAOYSA-N
MW364.14 g/mol
LogP2.52
Rot. Bonds5

About 2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide

2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide (PubChem CID 113304510) has the molecular formula C11H13IN2O4 and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide.

Molecular Properties

Compound Name2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide
PubChem CID113304510
Molecular FormulaC11H13IN2O4
Molecular Weight364.14 g/mol
Exact Mass363.99
IUPAC Name2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide
SMILESCC(C)CONC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C11H13IN2O4/c1-7(2)6-18-13-11(15)9-5-8(14(16)17)3-4-10(9)12/h3-5,7H,6H2,1-2H3,(H,13,15)
InChIKeyZXZRQQGVNNLEGO-UHFFFAOYSA-N
XLogP2.52
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 52.52
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'}

Analyze 2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-N-(1-methoxy-3-methylbutan-2-yl)-5-nitrobenzamide
CID 65049385
2-fluoro-3-methyl-N-(2-methylpropoxy)-5-nitrobenzamide
CID 103297655
N-(4-hydroxy-3-methylbutan-2-yl)-2-iodo-5-nitrobenzamide
CID 115771005
N-(3,3-dimethylbutan-2-yl)-2-iodo-5-nitrobenzamide
CID 113234669
N-(3-ethylpentan-3-yl)-2-iodo-5-nitrobenzamide
CID 65039144
2-iodo-N-(1-methoxy-2-methylpropan-2-yl)-5-nitrobenzamide
CID 115606610
N-hexan-3-yl-2-iodo-5-nitrobenzamide
CID 62046048
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-iodo-5-nitrobenzamide
CID 103108322
1-(2-iodo-5-nitrophenyl)propan-1-one
CID 118824443
3-bromo-N-(2-methylpropoxy)-5-nitrobenzamide
CID 115409904
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
3-chloro-N-(2-methylpropoxy)-5-nitrobenzamide
CID 113304415

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide?
The IUPAC name of 2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide (CID 113304510) is 2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide.
What is the SMILES notation for 2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide?
The canonical SMILES for 2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide is CC(C)CONC(=O)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of 2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide?
The InChIKey is ZXZRQQGVNNLEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O4/c1-7(2)6-18-13-11(15)9-5-8(14(16)17)3-4-10(9)12/h3-5,7H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide?
2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide has a molecular weight of 364.14 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-methylpropoxy)-5-nitrobenzamide is sourced from PubChem (CID 113304510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).