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

C18H22F2N2O4 — CID 11610335

IUPACN-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C3CCC(O)C(F)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H22F2N2O4/c1-10(23)21-8-13-9-22(18(25)26-13)12-3-4-14(15(19)7-12)11-2-5-17(24)16(20)6-11/h3-4,7,11,13,16-17,24H,2,5-6,8-9H2,1H3,(H,21,23)
InChIKeyWQVPZSRMAUHQFN-UHFFFAOYSA-N
MW368.38 g/mol
LogP2.25
Rot. Bonds4

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

N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11610335) has the molecular formula C18H22F2N2O4 and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11610335
Molecular FormulaC18H22F2N2O4
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC NameN-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C3CCC(O)C(F)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H22F2N2O4/c1-10(23)21-8-13-9-22(18(25)26-13)12-3-4-14(15(19)7-12)11-2-5-17(24)16(20)6-11/h3-4,7,11,13,16-17,24H,2,5-6,8-9H2,1H3,(H,21,23)
InChIKeyWQVPZSRMAUHQFN-UHFFFAOYSA-N
XLogP2.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11610335) is N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(C3CCC(O)C(F)C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is WQVPZSRMAUHQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O4/c1-10(23)21-8-13-9-22(18(25)26-13)12-3-4-14(15(19)7-12)11-2-5-17(24)16(20)6-11/h3-4,7,11,13,16-17,24H,2,5-6,8-9H2,1H3,(H,21,23).
What are the key properties of N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 368.38 g/mol, XLogP of 2.25, 4 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-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11610335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).