2-(2-amino-4-iodoanilino)-N-methylacetamide

C9H12IN3O — CID 66066263

IUPAC2-(2-amino-4-iodoanilino)-N-methylacetamide
SMILESCNC(=O)CNc1ccc(I)cc1N
InChIInChI=1S/C9H12IN3O/c1-12-9(14)5-13-8-3-2-6(10)4-7(8)11/h2-4,13H,5,11H2,1H3,(H,12,14)
InChIKeyIOKPGYTYPCECKD-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.03
Rot. Bonds3

About 2-(2-amino-4-iodoanilino)-N-methylacetamide

2-(2-amino-4-iodoanilino)-N-methylacetamide (PubChem CID 66066263) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-(2-amino-4-iodoanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-iodoanilino)-N-methylacetamide
PubChem CID66066263
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name2-(2-amino-4-iodoanilino)-N-methylacetamide
SMILESCNC(=O)CNc1ccc(I)cc1N
InChIInChI=1S/C9H12IN3O/c1-12-9(14)5-13-8-3-2-6(10)4-7(8)11/h2-4,13H,5,11H2,1H3,(H,12,14)
InChIKeyIOKPGYTYPCECKD-UHFFFAOYSA-N
XLogP1.03
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-methylanilino)-N-methylacetamide
CID 43310500
methyl 2-(2-amino-4-iodoanilino)acetate
CID 66066838
3-amino-4-[[2-(methylamino)-2-oxoethyl]amino]benzoic acid
CID 60989275
2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide
CID 66066860
4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
CID 79558463
N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide
CID 164649538
1-N-[(E)-but-2-enyl]-4-iodobenzene-1,2-diamine
CID 131242821
2-(4-amino-3-methylanilino)-N-methylacetamide
CID 43436351
5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol
CID 106154281
N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 28574383
2-(2-amino-4-iodoanilino)propane-1,3-diol
CID 66081930
2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
CID 115355980

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-iodoanilino)-N-methylacetamide?
The IUPAC name of 2-(2-amino-4-iodoanilino)-N-methylacetamide (CID 66066263) is 2-(2-amino-4-iodoanilino)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-4-iodoanilino)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-4-iodoanilino)-N-methylacetamide is CNC(=O)CNc1ccc(I)cc1N.
What is the InChIKey of 2-(2-amino-4-iodoanilino)-N-methylacetamide?
The InChIKey is IOKPGYTYPCECKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c1-12-9(14)5-13-8-3-2-6(10)4-7(8)11/h2-4,13H,5,11H2,1H3,(H,12,14).
What are the key properties of 2-(2-amino-4-iodoanilino)-N-methylacetamide?
2-(2-amino-4-iodoanilino)-N-methylacetamide has a molecular weight of 305.12 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-iodoanilino)-N-methylacetamide is sourced from PubChem (CID 66066263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).