N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H18FN3O4 — CID 10199953

IUPACN-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3Cc4ccccc4C3=O)c(F)c2)C(=O)O1
InChIInChI=1S/C20H18FN3O4/c1-12(25)22-9-15-11-23(20(27)28-15)14-6-7-18(17(21)8-14)24-10-13-4-2-3-5-16(13)19(24)26/h2-8,15H,9-11H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyDWHPTVIBRDITHN-HNNXBMFYSA-N
MW383.38 g/mol
LogP2.45
Rot. Bonds4

About N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10199953) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10199953
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3Cc4ccccc4C3=O)c(F)c2)C(=O)O1
InChIInChI=1S/C20H18FN3O4/c1-12(25)22-9-15-11-23(20(27)28-15)14-6-7-18(17(21)8-14)24-10-13-4-2-3-5-16(13)19(24)26/h2-8,15H,9-11H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyDWHPTVIBRDITHN-HNNXBMFYSA-N
XLogP2.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10199953) is N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3Cc4ccccc4C3=O)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is DWHPTVIBRDITHN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-12(25)22-9-15-11-23(20(27)28-15)14-6-7-18(17(21)8-14)24-10-13-4-2-3-5-16(13)19(24)26/h2-8,15H,9-11H2,1H3,(H,22,25)/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 383.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10199953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).