N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C22H25FN2O4 — CID 86940735

IUPACN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESCC(C)(C)C(COc1ccccc1F)NC(=O)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C22H25FN2O4/c1-22(2,3)19(14-29-18-10-5-4-9-17(18)23)24-20(26)15-7-6-8-16(13-15)25-11-12-28-21(25)27/h4-10,13,19H,11-12,14H2,1-3H3,(H,24,26)
InChIKeyMHCFWQZQFPFVJB-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.01
Rot. Bonds6

About N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 86940735) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID86940735
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC NameN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESCC(C)(C)C(COc1ccccc1F)NC(=O)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C22H25FN2O4/c1-22(2,3)19(14-29-18-10-5-4-9-17(18)23)24-20(26)15-7-6-8-16(13-15)25-11-12-28-21(25)27/h4-10,13,19H,11-12,14H2,1-3H3,(H,24,26)
InChIKeyMHCFWQZQFPFVJB-UHFFFAOYSA-N
XLogP4.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60508452
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96526002
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86940693
3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 94029882
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]thiomorpholine-4-carboxamide
CID 86941232
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide
CID 86940750
1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 86941191
N-[3-methyl-1-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methylamino]pentan-2-yl]benzamide
CID 55814917
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2H-triazole-4-carboxamide
CID 96527038
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 86941219
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide
CID 86940685
2,2-dichloro-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 86940721

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 86940735) is N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is CC(C)(C)C(COc1ccccc1F)NC(=O)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is MHCFWQZQFPFVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-22(2,3)19(14-29-18-10-5-4-9-17(18)23)24-20(26)15-7-6-8-16(13-15)25-11-12-28-21(25)27/h4-10,13,19H,11-12,14H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 400.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 86940735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).