2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C16H19ClFNO2 — CID 112778726

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)NCCC1=CCCCC1
InChIInChI=1S/C16H19ClFNO2/c17-14-10-13(6-7-15(14)18)21-11-16(20)19-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,19,20)
InChIKeyXSSGCQYBXMDTNA-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.86
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 112778726) has the molecular formula C16H19ClFNO2 and a molecular weight of 311.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID112778726
Molecular FormulaC16H19ClFNO2
Molecular Weight311.78 g/mol
Exact Mass311.11
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)NCCC1=CCCCC1
InChIInChI=1S/C16H19ClFNO2/c17-14-10-13(6-7-15(14)18)21-11-16(20)19-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,19,20)
InChIKeyXSSGCQYBXMDTNA-UHFFFAOYSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2483307
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55352111
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 92647652
2-(4-chloro-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55898788
methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 55559807
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 907483
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128323

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 112778726) is 2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(COc1ccc(F)c(Cl)c1)NCCC1=CCCCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is XSSGCQYBXMDTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO2/c17-14-10-13(6-7-15(14)18)21-11-16(20)19-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11H2,(H,19,20).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 311.78 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 112778726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).