N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide

C17H20FNO2 — CID 22004805

IUPACN-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2cc(F)c3c(c21)C=CCO3
InChIInChI=1S/C17H20FNO2/c1-2-15(20)19-8-7-11-5-6-12-10-14(18)17-13(16(11)12)4-3-9-21-17/h3-4,10-11H,2,5-9H2,1H3,(H,19,20)
InChIKeyMOOWDKFUGNHNCL-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide

N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide (PubChem CID 22004805) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide
PubChem CID22004805
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2cc(F)c3c(c21)C=CCO3
InChIInChI=1S/C17H20FNO2/c1-2-15(20)19-8-7-11-5-6-12-10-14(18)17-13(16(11)12)4-3-9-21-17/h3-4,10-11H,2,5-9H2,1H3,(H,19,20)
InChIKeyMOOWDKFUGNHNCL-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide?
The IUPAC name of N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide (CID 22004805) is N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide is CCC(=O)NCCC1CCc2cc(F)c3c(c21)C=CCO3.
What is the InChIKey of N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide?
The InChIKey is MOOWDKFUGNHNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-15(20)19-8-7-11-5-6-12-10-14(18)17-13(16(11)12)4-3-9-21-17/h3-4,10-11H,2,5-9H2,1H3,(H,19,20).
What are the key properties of N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide?
N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide has a molecular weight of 289.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide is sourced from PubChem (CID 22004805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).