3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide

C16H20INO2 — CID 90481195

IUPAC3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide
SMILESCC(=O)C1CC(C(=O)N(C)c2ccccc2I)C1(C)C
InChIInChI=1S/C16H20INO2/c1-10(19)11-9-12(16(11,2)3)15(20)18(4)14-8-6-5-7-13(14)17/h5-8,11-12H,9H2,1-4H3
InChIKeyQEUUGDPOMABRGB-UHFFFAOYSA-N
MW385.25 g/mol
LogP3.51
Rot. Bonds3

About 3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide

3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide (PubChem CID 90481195) has the molecular formula C16H20INO2 and a molecular weight of 385.25 g/mol. Its IUPAC name is 3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide
PubChem CID90481195
Molecular FormulaC16H20INO2
Molecular Weight385.25 g/mol
Exact Mass385.05
IUPAC Name3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide
SMILESCC(=O)C1CC(C(=O)N(C)c2ccccc2I)C1(C)C
InChIInChI=1S/C16H20INO2/c1-10(19)11-9-12(16(11,2)3)15(20)18(4)14-8-6-5-7-13(14)17/h5-8,11-12H,9H2,1-4H3
InChIKeyQEUUGDPOMABRGB-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide?
The IUPAC name of 3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide (CID 90481195) is 3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide?
The canonical SMILES for 3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide is CC(=O)C1CC(C(=O)N(C)c2ccccc2I)C1(C)C.
What is the InChIKey of 3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide?
The InChIKey is QEUUGDPOMABRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20INO2/c1-10(19)11-9-12(16(11,2)3)15(20)18(4)14-8-6-5-7-13(14)17/h5-8,11-12H,9H2,1-4H3.
What are the key properties of 3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide?
3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide has a molecular weight of 385.25 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2-iodophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 90481195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).