2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide

C15H14IN3O4 — CID 4806528

IUPAC2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(I)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14IN3O4/c1-23-12-6-7-13(14(8-12)19(21)22)18-15(20)9-17-11-4-2-10(16)3-5-11/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyXEYGNKHKDUACJE-UHFFFAOYSA-N
MW427.20 g/mol
LogP3.26
Rot. Bonds6

About 2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide

2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 4806528) has the molecular formula C15H14IN3O4 and a molecular weight of 427.20 g/mol. Its IUPAC name is 2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID4806528
Molecular FormulaC15H14IN3O4
Molecular Weight427.20 g/mol
Exact Mass427.00
IUPAC Name2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(I)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14IN3O4/c1-23-12-6-7-13(14(8-12)19(21)22)18-15(20)9-17-11-4-2-10(16)3-5-11/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyXEYGNKHKDUACJE-UHFFFAOYSA-N
XLogP3.26
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.20
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 42068751
N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 37175471
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4795337
2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9103856
2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9099548
N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915263
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729454
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583260

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 4806528) is 2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CNc2ccc(I)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is XEYGNKHKDUACJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O4/c1-23-12-6-7-13(14(8-12)19(21)22)18-15(20)9-17-11-4-2-10(16)3-5-11/h2-8,17H,9H2,1H3,(H,18,20).
What are the key properties of 2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 427.20 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 4806528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).