2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide

C12H17IN2O — CID 28879230

IUPAC2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1cccc(I)c1
InChIInChI=1S/C12H17IN2O/c1-9(2)15(3)12(16)8-14-11-6-4-5-10(13)7-11/h4-7,9,14H,8H2,1-3H3
InChIKeyAVMFGBARNHMZTA-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.57
Rot. Bonds4

About 2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide

2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide (PubChem CID 28879230) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide
PubChem CID28879230
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1cccc(I)c1
InChIInChI=1S/C12H17IN2O/c1-9(2)15(3)12(16)8-14-11-6-4-5-10(13)7-11/h4-7,9,14H,8H2,1-3H3
InChIKeyAVMFGBARNHMZTA-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-iodoanilino)-N-propan-2-ylacetamide
CID 28829975
methyl 2-(3-iodoanilino)acetate
CID 19829858
2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 104777465
2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28879085
N,N-dimethyl-2-(3-propan-2-ylanilino)acetamide
CID 28837936
N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 28579520
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide
CID 60690595
1-(azepan-1-yl)-2-(3-iodoanilino)ethanone
CID 28836114
2-(2,3-dichloroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28774942
2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide
CID 107804405
2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide
CID 55024751

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide (CID 28879230) is 2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNc1cccc(I)c1.
What is the InChIKey of 2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is AVMFGBARNHMZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-9(2)15(3)12(16)8-14-11-6-4-5-10(13)7-11/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide?
2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 332.19 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 28879230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).