N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide

C18H23FN2O3 — CID 118161015

IUPACN-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(CN2Cc3ccc(O)c(F)c3C2=O)CC1
InChIInChI=1S/C18H23FN2O3/c1-11(22)20-8-12-2-4-13(5-3-12)9-21-10-14-6-7-15(23)17(19)16(14)18(21)24/h6-7,12-13,23H,2-5,8-10H2,1H3,(H,20,22)
InChIKeyIDTIDYRRZLMROB-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.43
Rot. Bonds4

About N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide

N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide (PubChem CID 118161015) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide
PubChem CID118161015
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(CN2Cc3ccc(O)c(F)c3C2=O)CC1
InChIInChI=1S/C18H23FN2O3/c1-11(22)20-8-12-2-4-13(5-3-12)9-21-10-14-6-7-15(23)17(19)16(14)18(21)24/h6-7,12-13,23H,2-5,8-10H2,1H3,(H,20,22)
InChIKeyIDTIDYRRZLMROB-UHFFFAOYSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide?
The IUPAC name of N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide (CID 118161015) is N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide is CC(=O)NCC1CCC(CN2Cc3ccc(O)c(F)c3C2=O)CC1.
What is the InChIKey of N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide?
The InChIKey is IDTIDYRRZLMROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-11(22)20-8-12-2-4-13(5-3-12)9-21-10-14-6-7-15(23)17(19)16(14)18(21)24/h6-7,12-13,23H,2-5,8-10H2,1H3,(H,20,22).
What are the key properties of N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide?
N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide has a molecular weight of 334.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 118161015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).