2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide

C16H20FNO2 — CID 86005665

IUPAC2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C(F)=C2CCCCC2)cc1
InChIInChI=1S/C16H20FNO2/c1-20-14-9-7-12(8-10-14)11-18-16(19)15(17)13-5-3-2-4-6-13/h7-10H,2-6,11H2,1H3,(H,18,19)
InChIKeySOSLOKOJPFISPZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.50
Rot. Bonds4

About 2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide

2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 86005665) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID86005665
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C(F)=C2CCCCC2)cc1
InChIInChI=1S/C16H20FNO2/c1-20-14-9-7-12(8-10-14)11-18-16(19)15(17)13-5-3-2-4-6-13/h7-10H,2-6,11H2,1H3,(H,18,19)
InChIKeySOSLOKOJPFISPZ-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963
2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide
CID 89181014
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 44762851
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
CID 9114874
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 108508151
3-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947043
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide (CID 86005665) is 2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)C(F)=C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is SOSLOKOJPFISPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-20-14-9-7-12(8-10-14)11-18-16(19)15(17)13-5-3-2-4-6-13/h7-10H,2-6,11H2,1H3,(H,18,19).
What are the key properties of 2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide?
2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 277.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 86005665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).