N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide

C14H19IN2O — CID 119475463

IUPACN-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide
SMILESNC1CCC(NC(=O)Cc2cccc(I)c2)CC1
InChIInChI=1S/C14H19IN2O/c15-11-3-1-2-10(8-11)9-14(18)17-13-6-4-12(16)5-7-13/h1-3,8,12-13H,4-7,9,16H2,(H,17,18)
InChIKeyDNJQIVCCJLTKOX-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.22
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide

N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide (PubChem CID 119475463) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide
PubChem CID119475463
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC NameN-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide
SMILESNC1CCC(NC(=O)Cc2cccc(I)c2)CC1
InChIInChI=1S/C14H19IN2O/c15-11-3-1-2-10(8-11)9-14(18)17-13-6-4-12(16)5-7-13/h1-3,8,12-13H,4-7,9,16H2,(H,17,18)
InChIKeyDNJQIVCCJLTKOX-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
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 N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide (CID 119475463) is N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide is NC1CCC(NC(=O)Cc2cccc(I)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide?
The InChIKey is DNJQIVCCJLTKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c15-11-3-1-2-10(8-11)9-14(18)17-13-6-4-12(16)5-7-13/h1-3,8,12-13H,4-7,9,16H2,(H,17,18).
What are the key properties of N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide?
N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide has a molecular weight of 358.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide is sourced from PubChem (CID 119475463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).