2-iodo-N-(3-nitrophenyl)acetamide

C8H7IN2O3 — CID 12611682

IUPAC2-iodo-N-(3-nitrophenyl)acetamide
SMILESO=C(CI)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H7IN2O3/c9-5-8(12)10-6-2-1-3-7(4-6)11(13)14/h1-4H,5H2,(H,10,12)
InChIKeyALOJEGCLVKHOIP-UHFFFAOYSA-N
MW306.06 g/mol
LogP1.97
Rot. Bonds3

About 2-iodo-N-(3-nitrophenyl)acetamide

2-iodo-N-(3-nitrophenyl)acetamide (PubChem CID 12611682) has the molecular formula C8H7IN2O3 and a molecular weight of 306.06 g/mol. Its IUPAC name is 2-iodo-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-iodo-N-(3-nitrophenyl)acetamide
PubChem CID12611682
Molecular FormulaC8H7IN2O3
Molecular Weight306.06 g/mol
Exact Mass305.95
IUPAC Name2-iodo-N-(3-nitrophenyl)acetamide
SMILESO=C(CI)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H7IN2O3/c9-5-8(12)10-6-2-1-3-7(4-6)11(13)14/h1-4H,5H2,(H,10,12)
InChIKeyALOJEGCLVKHOIP-UHFFFAOYSA-N
XLogP1.97
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.06
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
2-azido-N-(3-nitrophenyl)acetamide
CID 98880869
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide
CID 2938636
potassium trifluoro-[3-(3-nitroanilino)-3-oxopropyl]boranuide
CID 171150748
3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670764
N-(3-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716474
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006
4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670737

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-iodo-N-(3-nitrophenyl)acetamide (CID 12611682) is 2-iodo-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-iodo-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-iodo-N-(3-nitrophenyl)acetamide is O=C(CI)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-iodo-N-(3-nitrophenyl)acetamide?
The InChIKey is ALOJEGCLVKHOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O3/c9-5-8(12)10-6-2-1-3-7(4-6)11(13)14/h1-4H,5H2,(H,10,12).
What are the key properties of 2-iodo-N-(3-nitrophenyl)acetamide?
2-iodo-N-(3-nitrophenyl)acetamide has a molecular weight of 306.06 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 12611682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).