N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide

C27H28FN3O3 — CID 24965216

IUPACN-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2ccc(CN3CC(c4ccc(F)cc4)OC3=O)cc2)c1
InChIInChI=1S/C27H28FN3O3/c1-30(2)15-14-29-26(32)23-5-3-4-22(16-23)20-8-6-19(7-9-20)17-31-18-25(34-27(31)33)21-10-12-24(28)13-11-21/h3-13,16,25H,14-15,17-18H2,1-2H3,(H,29,32)
InChIKeyVHUSSZBMRVZTEW-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.48
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide

N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide (PubChem CID 24965216) has the molecular formula C27H28FN3O3 and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide
PubChem CID24965216
Molecular FormulaC27H28FN3O3
Molecular Weight461.54 g/mol
Exact Mass461.21
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2ccc(CN3CC(c4ccc(F)cc4)OC3=O)cc2)c1
InChIInChI=1S/C27H28FN3O3/c1-30(2)15-14-29-26(32)23-5-3-4-22(16-23)20-8-6-19(7-9-20)17-31-18-25(34-27(31)33)21-10-12-24(28)13-11-21/h3-13,16,25H,14-15,17-18H2,1-2H3,(H,29,32)
InChIKeyVHUSSZBMRVZTEW-UHFFFAOYSA-N
XLogP4.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide (CID 24965216) is N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide is CN(C)CCNC(=O)c1cccc(-c2ccc(CN3CC(c4ccc(F)cc4)OC3=O)cc2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide?
The InChIKey is VHUSSZBMRVZTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O3/c1-30(2)15-14-29-26(32)23-5-3-4-22(16-23)20-8-6-19(7-9-20)17-31-18-25(34-27(31)33)21-10-12-24(28)13-11-21/h3-13,16,25H,14-15,17-18H2,1-2H3,(H,29,32).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide?
N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide has a molecular weight of 461.54 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 24965216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).