2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H27F3N4O6 — CID 89072895

IUPAC2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCON(CCNc1ccc(N2C[C@H](CNC(=O)C(F)F)OC2=O)cc1F)CCOCCO
InChIInChI=1S/C19H27F3N4O6/c1-30-25(6-8-31-9-7-27)5-4-23-16-3-2-13(10-15(16)20)26-12-14(32-19(26)29)11-24-18(28)17(21)22/h2-3,10,14,17,23,27H,4-9,11-12H2,1H3,(H,24,28)/t14-/m0/s1
InChIKeyWKARCRSTNBMVHU-AWEZNQCLSA-N
MW464.44 g/mol
LogP0.82
Rot. Bonds14

About 2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 89072895) has the molecular formula C19H27F3N4O6 and a molecular weight of 464.44 g/mol. Its IUPAC name is 2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID89072895
Molecular FormulaC19H27F3N4O6
Molecular Weight464.44 g/mol
Exact Mass464.19
IUPAC Name2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCON(CCNc1ccc(N2C[C@H](CNC(=O)C(F)F)OC2=O)cc1F)CCOCCO
InChIInChI=1S/C19H27F3N4O6/c1-30-25(6-8-31-9-7-27)5-4-23-16-3-2-13(10-15(16)20)26-12-14(32-19(26)29)11-24-18(28)17(21)22/h2-3,10,14,17,23,27H,4-9,11-12H2,1H3,(H,24,28)/t14-/m0/s1
InChIKeyWKARCRSTNBMVHU-AWEZNQCLSA-N
XLogP0.82
TPSA112.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046
2,2-difluoro-N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59488886
2,2-difluoro-N-[[3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66884287
2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23658431
O-butyl N-[2-[4-[(5S)-5-[(2-chloropropanoylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]ethyl]carbamothioate
CID 143613153
tert-butyl 4-[4-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2,6-dimethylpiperazine-1-carboxylate
CID 71133108
methyl 2-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl-methoxyamino]acetate
CID 89217914
5-chloro-N-[[(5S)-3-[3-fluoro-4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 163521025
2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[(5-iodo-7-oxocyclohepta-1,3,5-trien-1-yl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 143554828
2,2-difluoro-N-[[3-[3-fluoro-4-[methanimidoyl-[2-(prop-2-ynylamino)ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 91587813
N-[[(5S)-3-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58361767
methyl 3-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 90756656

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 89072895) is 2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CON(CCNc1ccc(N2C[C@H](CNC(=O)C(F)F)OC2=O)cc1F)CCOCCO.
What is the InChIKey of 2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is WKARCRSTNBMVHU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27F3N4O6/c1-30-25(6-8-31-9-7-27)5-4-23-16-3-2-13(10-15(16)20)26-12-14(32-19(26)29)11-24-18(28)17(21)22/h2-3,10,14,17,23,27H,4-9,11-12H2,1H3,(H,24,28)/t14-/m0/s1.
What are the key properties of 2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 464.44 g/mol, XLogP of 0.82, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[2-(2-hydroxyethoxy)ethyl-methoxyamino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 89072895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).