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

C19H25FN2O3 — CID 118161017

IUPACN-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide
SMILESCC(=O)NC(C)C1CCC(CN2Cc3ccc(O)c(F)c3C2=O)CC1
InChIInChI=1S/C19H25FN2O3/c1-11(21-12(2)23)14-5-3-13(4-6-14)9-22-10-15-7-8-16(24)18(20)17(15)19(22)25/h7-8,11,13-14,24H,3-6,9-10H2,1-2H3,(H,21,23)
InChIKeyKJRVTWDPZNNKMC-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.82
Rot. Bonds4

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

N-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide (PubChem CID 118161017) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide
PubChem CID118161017
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC NameN-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide
SMILESCC(=O)NC(C)C1CCC(CN2Cc3ccc(O)c(F)c3C2=O)CC1
InChIInChI=1S/C19H25FN2O3/c1-11(21-12(2)23)14-5-3-13(4-6-14)9-22-10-15-7-8-16(24)18(20)17(15)19(22)25/h7-8,11,13-14,24H,3-6,9-10H2,1-2H3,(H,21,23)
InChIKeyKJRVTWDPZNNKMC-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide (CID 118161017) is N-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide is CC(=O)NC(C)C1CCC(CN2Cc3ccc(O)c(F)c3C2=O)CC1.
What is the InChIKey of N-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide?
The InChIKey is KJRVTWDPZNNKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-11(21-12(2)23)14-5-3-13(4-6-14)9-22-10-15-7-8-16(24)18(20)17(15)19(22)25/h7-8,11,13-14,24H,3-6,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide?
N-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexyl]ethyl]acetamide is sourced from PubChem (CID 118161017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).