2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide

C14H18ClIN2O2 — CID 155618732

IUPAC2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide
SMILES[H]/N=I/C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClIN2O2/c15-10-1-7-13(8-2-10)20-9-14(19)18-12-5-3-11(16-17)4-6-12/h1-2,7-8,11-12,17H,3-6,9H2,(H,18,19)
InChIKeyKNTYDWLZIZQGTB-UHFFFAOYSA-N
MW408.67 g/mol
LogP3.88
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide

2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide (PubChem CID 155618732) has the molecular formula C14H18ClIN2O2 and a molecular weight of 408.67 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide
PubChem CID155618732
Molecular FormulaC14H18ClIN2O2
Molecular Weight408.67 g/mol
Exact Mass408.01
IUPAC Name2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide
SMILES[H]/N=I/C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClIN2O2/c15-10-1-7-13(8-2-10)20-9-14(19)18-12-5-3-11(16-17)4-6-12/h1-2,7-8,11-12,17H,3-6,9H2,(H,18,19)
InChIKeyKNTYDWLZIZQGTB-UHFFFAOYSA-N
XLogP3.88
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.67
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
CID 90446748
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 149043391
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053233
2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053234
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide (CID 155618732) is 2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide is [H]/N=I/C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide?
The InChIKey is KNTYDWLZIZQGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClIN2O2/c15-10-1-7-13(8-2-10)20-9-14(19)18-12-5-3-11(16-17)4-6-12/h1-2,7-8,11-12,17H,3-6,9H2,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide?
2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide has a molecular weight of 408.67 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide is sourced from PubChem (CID 155618732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).