2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide

C14H16INO — CID 63563087

IUPAC2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide
SMILESO=C(CC1=CCCCC1)Nc1ccc(I)cc1
InChIInChI=1S/C14H16INO/c15-12-6-8-13(9-7-12)16-14(17)10-11-4-2-1-3-5-11/h4,6-9H,1-3,5,10H2,(H,16,17)
InChIKeyYKPYCODZDGFJHY-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.12
Rot. Bonds3

About 2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide

2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide (PubChem CID 63563087) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide
PubChem CID63563087
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC Name2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide
SMILESO=C(CC1=CCCCC1)Nc1ccc(I)cc1
InChIInChI=1S/C14H16INO/c15-12-6-8-13(9-7-12)16-14(17)10-11-4-2-1-3-5-11/h4,6-9H,1-3,5,10H2,(H,16,17)
InChIKeyYKPYCODZDGFJHY-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63564030
4-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 63562693
2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide
CID 71999240
2-[5-[[2-(cyclohexen-1-yl)acetyl]amino]indol-1-yl]acetic acid
CID 119235511
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide
CID 64786368
6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 55214702
2-(cyclohexen-1-yl)-N-(2-sulfamoylphenyl)acetamide
CID 63563480
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
CID 114490988
2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 63563470
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide (CID 63563087) is 2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide is O=C(CC1=CCCCC1)Nc1ccc(I)cc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide?
The InChIKey is YKPYCODZDGFJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO/c15-12-6-8-13(9-7-12)16-14(17)10-11-4-2-1-3-5-11/h4,6-9H,1-3,5,10H2,(H,16,17).
What are the key properties of 2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide?
2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide has a molecular weight of 341.19 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 63563087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).