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

C11H15IN2O — CID 28829975

IUPAC2-(3-iodoanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1cccc(I)c1
InChIInChI=1S/C11H15IN2O/c1-8(2)14-11(15)7-13-10-5-3-4-9(12)6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyUGQFHZGJDGEMAB-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.23
Rot. Bonds4

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

2-(3-iodoanilino)-N-propan-2-ylacetamide (PubChem CID 28829975) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-(3-iodoanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-iodoanilino)-N-propan-2-ylacetamide
PubChem CID28829975
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name2-(3-iodoanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1cccc(I)c1
InChIInChI=1S/C11H15IN2O/c1-8(2)14-11(15)7-13-10-5-3-4-9(12)6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyUGQFHZGJDGEMAB-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylanilino)-N-propan-2-ylacetamide
CID 28584308
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28879230
methyl 3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoate
CID 108992868
methyl 2-(3-iodoanilino)acetate
CID 19829858
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
N-cyclopropyl-2-(3-iodoanilino)acetamide
CID 28829963
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
1-(azepan-1-yl)-2-(3-iodoanilino)ethanone
CID 28836114
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194447

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodoanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-iodoanilino)-N-propan-2-ylacetamide (CID 28829975) is 2-(3-iodoanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-iodoanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-iodoanilino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1cccc(I)c1.
What is the InChIKey of 2-(3-iodoanilino)-N-propan-2-ylacetamide?
The InChIKey is UGQFHZGJDGEMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-8(2)14-11(15)7-13-10-5-3-4-9(12)6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-iodoanilino)-N-propan-2-ylacetamide?
2-(3-iodoanilino)-N-propan-2-ylacetamide has a molecular weight of 318.16 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodoanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 28829975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).