2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide

C21H24ClFN2O4 — CID 167268955

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CCC1C([C@H]1CN(C3CCC3)C(=O)O1)C2
InChIInChI=1S/C21H24ClFN2O4/c22-16-5-4-13(8-17(16)23)28-11-19(26)24-21-7-6-15(21)14(9-21)18-10-25(20(27)29-18)12-2-1-3-12/h4-5,8,12,14-15,18H,1-3,6-7,9-11H2,(H,24,26)/t14?,15?,18-,21?/m1/s1
InChIKeyQJGGWKLQDQHRJB-PARSUAIFSA-N
MW422.88 g/mol
LogP3.52
Rot. Bonds6

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide (PubChem CID 167268955) has the molecular formula C21H24ClFN2O4 and a molecular weight of 422.88 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide
PubChem CID167268955
Molecular FormulaC21H24ClFN2O4
Molecular Weight422.88 g/mol
Exact Mass422.14
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CCC1C([C@H]1CN(C3CCC3)C(=O)O1)C2
InChIInChI=1S/C21H24ClFN2O4/c22-16-5-4-13(8-17(16)23)28-11-19(26)24-21-7-6-15(21)14(9-21)18-10-25(20(27)29-18)12-2-1-3-12/h4-5,8,12,14-15,18H,1-3,6-7,9-11H2,(H,24,26)/t14?,15?,18-,21?/m1/s1
InChIKeyQJGGWKLQDQHRJB-PARSUAIFSA-N
XLogP3.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide with MolForge

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[(2S,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585911
2-(4-chloro-3-fluorophenoxy)-N-[(2R,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 154699055
2-(4-chloro-3-fluorophenoxy)-N-[(1R,2S,4R,5S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 155285831
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-bicyclo[2.1.0]pentanyl]-2-cyclobutyloxyacetamide
CID 139517457
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-bicyclo[2.2.0]hexanyl]-4-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 155260220
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3,6-dihydroxy-2-bicyclo[3.1.1]hept-1-enyl]acetamide
CID 155302975
[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 155254489
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(4-chloro-3-fluorophenyl)acetamide
CID 142585679
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(4-fluorophenoxy)acetamide
CID 142585754
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-1,2,3,4,4a,5,6,7-octahydropyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 142586379
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137491361
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-(2-hydroxyethylamino)-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585886

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide (CID 167268955) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC12CCC1C([C@H]1CN(C3CCC3)C(=O)O1)C2.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide?
The InChIKey is QJGGWKLQDQHRJB-PARSUAIFSA-N. The full InChI is InChI=1S/C21H24ClFN2O4/c22-16-5-4-13(8-17(16)23)28-11-19(26)24-21-7-6-15(21)14(9-21)18-10-25(20(27)29-18)12-2-1-3-12/h4-5,8,12,14-15,18H,1-3,6-7,9-11H2,(H,24,26)/t14?,15?,18-,21?/m1/s1.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide has a molecular weight of 422.88 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl]-1-bicyclo[2.2.0]hexanyl]acetamide is sourced from PubChem (CID 167268955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).