N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide

C15H12IN3O4 — CID 38887087

IUPACN-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1
InChIInChI=1S/C15H12IN3O4/c1-9(20)17-10-3-2-4-11(7-10)18-15(21)13-8-12(19(22)23)5-6-14(13)16/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyHOYUQJJIQIDYNF-UHFFFAOYSA-N
MW425.18 g/mol
LogP3.41
Rot. Bonds4

About N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide

N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide (PubChem CID 38887087) has the molecular formula C15H12IN3O4 and a molecular weight of 425.18 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
PubChem CID38887087
Molecular FormulaC15H12IN3O4
Molecular Weight425.18 g/mol
Exact Mass424.99
IUPAC NameN-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1
InChIInChI=1S/C15H12IN3O4/c1-9(20)17-10-3-2-4-11(7-10)18-15(21)13-8-12(19(22)23)5-6-14(13)16/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyHOYUQJJIQIDYNF-UHFFFAOYSA-N
XLogP3.41
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.18
LogP ≤ 53.41
H-Bond Donors ≤ 52
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 N-(3-acetamidophenyl)-2-iodo-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-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
2-iodo-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-nitrobenzamide
CID 55882840
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide
CID 60622962
2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide
CID 61041820
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-iodo-5-nitrobenzamide
CID 38884952
N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide
CID 66255521
methyl 3-[(2-iodo-5-nitrobenzoyl)amino]-2-methylbenzoate
CID 78904302
3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide
CID 43377432
N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide
CID 103774972

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide?
The IUPAC name of N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide (CID 38887087) is N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide is CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide?
The InChIKey is HOYUQJJIQIDYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O4/c1-9(20)17-10-3-2-4-11(7-10)18-15(21)13-8-12(19(22)23)5-6-14(13)16/h2-8H,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide?
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide has a molecular weight of 425.18 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide is sourced from PubChem (CID 38887087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).