N-acetyl-5-cyclohexyl-2-iodosylbenzamide

C15H18INO3 — CID 23357766

IUPACN-acetyl-5-cyclohexyl-2-iodosylbenzamide
SMILESCC(=O)NC(=O)c1cc(C2CCCCC2)ccc1I=O
InChIInChI=1S/C15H18INO3/c1-10(18)17-15(19)13-9-12(7-8-14(13)16-20)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,18,19)
InChIKeySHQMCUPGPZOYAM-UHFFFAOYSA-N
MW387.22 g/mol
LogP3.50
Rot. Bonds3

About N-acetyl-5-cyclohexyl-2-iodosylbenzamide

N-acetyl-5-cyclohexyl-2-iodosylbenzamide (PubChem CID 23357766) has the molecular formula C15H18INO3 and a molecular weight of 387.22 g/mol. Its IUPAC name is N-acetyl-5-cyclohexyl-2-iodosylbenzamide.

Molecular Properties

Compound NameN-acetyl-5-cyclohexyl-2-iodosylbenzamide
PubChem CID23357766
Molecular FormulaC15H18INO3
Molecular Weight387.22 g/mol
Exact Mass387.03
IUPAC NameN-acetyl-5-cyclohexyl-2-iodosylbenzamide
SMILESCC(=O)NC(=O)c1cc(C2CCCCC2)ccc1I=O
InChIInChI=1S/C15H18INO3/c1-10(18)17-15(19)13-9-12(7-8-14(13)16-20)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,18,19)
InChIKeySHQMCUPGPZOYAM-UHFFFAOYSA-N
XLogP3.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-5-cyclohexyl-2-iodosylbenzamide?
The IUPAC name of N-acetyl-5-cyclohexyl-2-iodosylbenzamide (CID 23357766) is N-acetyl-5-cyclohexyl-2-iodosylbenzamide.
What is the SMILES notation for N-acetyl-5-cyclohexyl-2-iodosylbenzamide?
The canonical SMILES for N-acetyl-5-cyclohexyl-2-iodosylbenzamide is CC(=O)NC(=O)c1cc(C2CCCCC2)ccc1I=O.
What is the InChIKey of N-acetyl-5-cyclohexyl-2-iodosylbenzamide?
The InChIKey is SHQMCUPGPZOYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INO3/c1-10(18)17-15(19)13-9-12(7-8-14(13)16-20)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,18,19).
What are the key properties of N-acetyl-5-cyclohexyl-2-iodosylbenzamide?
N-acetyl-5-cyclohexyl-2-iodosylbenzamide has a molecular weight of 387.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-5-cyclohexyl-2-iodosylbenzamide is sourced from PubChem (CID 23357766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).