cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide

C21H20F2N2O3 — CID 99251694

IUPACcis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C21H20F2N2O3/c1-12(13-4-2-5-14(10-13)25-8-9-28-21(25)27)24-20(26)16-11-15(16)19-17(22)6-3-7-18(19)23/h2-7,10,12,15-16H,8-9,11H2,1H3,(H,24,26)/t12-,15-,16+/m0/s1
InChIKeyYEIAIQSKXKGHEX-VBNZEHGJSA-N
MW386.40 g/mol
LogP3.90
Rot. Bonds5

About cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 99251694) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide
PubChem CID99251694
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Namecis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C21H20F2N2O3/c1-12(13-4-2-5-14(10-13)25-8-9-28-21(25)27)24-20(26)16-11-15(16)19-17(22)6-3-7-18(19)23/h2-7,10,12,15-16H,8-9,11H2,1H3,(H,24,26)/t12-,15-,16+/m0/s1
InChIKeyYEIAIQSKXKGHEX-VBNZEHGJSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98475018
trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide
CID 124840506
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea
CID 97201711
3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295167
3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97107841
1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea
CID 95163705
N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-pyridin-3-ylpropanamide
CID 48822167
3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 94029882
3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97230987
N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427374
3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97230406
cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 97021078

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide (CID 99251694) is cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is YEIAIQSKXKGHEX-VBNZEHGJSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c1-12(13-4-2-5-14(10-13)25-8-9-28-21(25)27)24-20(26)16-11-15(16)19-17(22)6-3-7-18(19)23/h2-7,10,12,15-16H,8-9,11H2,1H3,(H,24,26)/t12-,15-,16+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99251694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).