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

C20H21FN2O4 — CID 23404219

IUPACN-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(CCO)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21FN2O4/c1-13(25)22-11-17-12-23(20(26)27-17)16-6-7-18(19(21)10-16)15-4-2-14(3-5-15)8-9-24/h2-7,10,17,24H,8-9,11-12H2,1H3,(H,22,25)
InChIKeyNHBWOYDGFLTAQN-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.49
Rot. Bonds6

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

N-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23404219) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23404219
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC NameN-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(CCO)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21FN2O4/c1-13(25)22-11-17-12-23(20(26)27-17)16-6-7-18(19(21)10-16)15-4-2-14(3-5-15)8-9-24/h2-7,10,17,24H,8-9,11-12H2,1H3,(H,22,25)
InChIKeyNHBWOYDGFLTAQN-UHFFFAOYSA-N
XLogP2.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23404219) is N-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(CCO)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is NHBWOYDGFLTAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-13(25)22-11-17-12-23(20(26)27-17)16-6-7-18(19(21)10-16)15-4-2-14(3-5-15)8-9-24/h2-7,10,17,24H,8-9,11-12H2,1H3,(H,22,25).
What are the key properties of N-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 372.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[4-(2-hydroxyethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23404219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).