4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide

C22H28FNO3 — CID 142935302

IUPAC4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide
SMILESC=C1CC(=O)CC(CCc2ccc(C(=O)NCC)c(F)c2)(C2CCCC2)O1
InChIInChI=1S/C22H28FNO3/c1-3-24-21(26)19-9-8-16(13-20(19)23)10-11-22(17-6-4-5-7-17)14-18(25)12-15(2)27-22/h8-9,13,17H,2-7,10-12,14H2,1H3,(H,24,26)
InChIKeyZXUHTGVGIPXXOB-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.33
Rot. Bonds6

About 4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide

4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide (PubChem CID 142935302) has the molecular formula C22H28FNO3 and a molecular weight of 373.47 g/mol. Its IUPAC name is 4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide
PubChem CID142935302
Molecular FormulaC22H28FNO3
Molecular Weight373.47 g/mol
Exact Mass373.21
IUPAC Name4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide
SMILESC=C1CC(=O)CC(CCc2ccc(C(=O)NCC)c(F)c2)(C2CCCC2)O1
InChIInChI=1S/C22H28FNO3/c1-3-24-21(26)19-9-8-16(13-20(19)23)10-11-22(17-6-4-5-7-17)14-18(25)12-15(2)27-22/h8-9,13,17H,2-7,10-12,14H2,1H3,(H,24,26)
InChIKeyZXUHTGVGIPXXOB-UHFFFAOYSA-N
XLogP4.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(4-acetyl-3-fluorophenyl)ethyl]-6-cyclopentyloxane-2,4-dione
CID 16728719
6-cyclopentyl-6-[2-(4-hydroxy-3-propylphenyl)ethyl]oxane-2,4-dione
CID 58762314
6-cyclopentyl-6-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]oxane-2,4-dione
CID 58764163
6-cyclopentyl-6-[2-[3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]ethyl]oxane-2,4-dione
CID 58762679
2-[4-[2-(2-cyclohexyl-4,6-dioxooxan-2-yl)ethyl]-2-fluorophenyl]-2-methylpropanenitrile
CID 142935262
2-[4-[2-(2-cyclopentyl-4,6-dioxooxan-2-yl)ethyl]-2-(trifluoromethyl)phenyl]-2-ethylbutanenitrile
CID 58764147
(6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione
CID 141134314
6-[2-chloro-4-[2-(2-cyclopentyl-4,6-dioxooxan-2-yl)ethyl]phenyl]-6-methyloxane-2,4-dione
CID 10388900
N-[4-[2-(2-cyclopentyl-4,6-dioxooxan-2-yl)ethyl]-2-ethylphenyl]methanesulfonamide
CID 58764030
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
6-cyclopentyl-6-[2-[3-(1-hydroxyethyl)-4-methoxyphenyl]ethyl]oxane-2,4-dione
CID 68865846
2-[4-[2-(2-cyclopentyl-4,6-dioxooxan-2-yl)ethyl]-2-ethylphenoxy]ethyl-methylcarbamic acid
CID 69055633

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide?
The IUPAC name of 4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide (CID 142935302) is 4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide is C=C1CC(=O)CC(CCc2ccc(C(=O)NCC)c(F)c2)(C2CCCC2)O1.
What is the InChIKey of 4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide?
The InChIKey is ZXUHTGVGIPXXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO3/c1-3-24-21(26)19-9-8-16(13-20(19)23)10-11-22(17-6-4-5-7-17)14-18(25)12-15(2)27-22/h8-9,13,17H,2-7,10-12,14H2,1H3,(H,24,26).
What are the key properties of 4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide?
4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide has a molecular weight of 373.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 142935302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).