(2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C22H19F7N2O4 — CID 156535680

IUPAC(2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESC[C@H]1[C@H](c2ccc(F)c(F)c2OC(F)F)[C@H](C(=O)Nc2cccc(C(N)=O)c2)O[C@]1(C)C(F)(F)F
InChIInChI=1S/C22H19F7N2O4/c1-9-14(12-6-7-13(23)15(24)16(12)34-20(25)26)17(35-21(9,2)22(27,28)29)19(33)31-11-5-3-4-10(8-11)18(30)32/h3-9,14,17,20H,1-2H3,(H2,30,32)(H,31,33)/t9-,14+,17+,21-/m0/s1
InChIKeyCUCKWBCZSYAYTR-DYJPNZKISA-N
MW508.39 g/mol
LogP4.74
Rot. Bonds6

About (2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 156535680) has the molecular formula C22H19F7N2O4 and a molecular weight of 508.39 g/mol. Its IUPAC name is (2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID156535680
Molecular FormulaC22H19F7N2O4
Molecular Weight508.39 g/mol
Exact Mass508.12
IUPAC Name(2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESC[C@H]1[C@H](c2ccc(F)c(F)c2OC(F)F)[C@H](C(=O)Nc2cccc(C(N)=O)c2)O[C@]1(C)C(F)(F)F
InChIInChI=1S/C22H19F7N2O4/c1-9-14(12-6-7-13(23)15(24)16(12)34-20(25)26)17(35-21(9,2)22(27,28)29)19(33)31-11-5-3-4-10(8-11)18(30)32/h3-9,14,17,20H,1-2H3,(H2,30,32)(H,31,33)/t9-,14+,17+,21-/m0/s1
InChIKeyCUCKWBCZSYAYTR-DYJPNZKISA-N
XLogP4.74
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.39
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

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Related Compounds

[2-[2,6-Di(propan-2-yl)anilino]-2-oxoethyl] 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 4423633
N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 24980265
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943946
N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089465
rel-(2S,3R,4R,5S)-N-(3-
CID 156463148
rel-(2R,3S,4S,5R)-N-(3-carbamoyl-4-fluoro-phenyl)-3-[2-(difluoromethoxy)-3,4-difluoro-phenyl]-4,5-dimethyl-5-(trifluoromethyl)tetrahydrofuran-2-carboxamide
CID 156463149
rel-(2S,3R,5S)-N-(3-carbamoyl-4-fluoro-phenyl)-3-(3,4-difluoro-2-methoxy-phenyl)-5-methyl-5-(trifluoromethyl)tetrahydrofuran-2-carboxamide
CID 156463200
rel-(2R,3S,5R)-N-(3-carbamoyl-4-fluoro-phenyl)-3-(3,4-difluoro-2-methoxy-phenyl)-5-methyl-5-(trifluoromethyl)tetrahydrofuran-2-carboxamide
CID 156463201
rel-(2R,3S,4S,5R)-N-(3-carbamoyl-4-fluoro-phenyl)-3-[2-(difluoromethoxy)-4-fluoro-phenyl]-4,5-dimethyl-5-(trifluoromethyl)tetrahydrofuran-2-carboxamide
CID 156463211
rel-(2R,3S,4S,5R)-N-(3-carbamoylpheny1)-3-[2-(difluoromethoxy)-3,4-difluoro-phenyl]-4,5-dimethyl-5-(trifluoromethyl)tetrahydrofuran-2-carboxamide
CID 156463559
rel-(2S,3R,4R,5S)-N-(3-carbamoylpheny1)-3-[2-(difluoromethoxy)-3,4-difluoro-phenyl]-4,5-dimethyl-5-(trifluoromethyl)tetrahydrofuran-2-carboxamide
CID 156463564
rel-(2S,3R,4R,5S)-N-(3-carbamoyl-4-fluoro-phenyl)-3-[2-(difluoromethoxy)-4-fluoro-phenyl]-4,5-dimethyl-5-(trifluoromethyl)tetrahydrofuran-2-carboxamide
CID 156463570

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 156535680) is (2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is C[C@H]1[C@H](c2ccc(F)c(F)c2OC(F)F)[C@H](C(=O)Nc2cccc(C(N)=O)c2)O[C@]1(C)C(F)(F)F.
What is the InChIKey of (2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is CUCKWBCZSYAYTR-DYJPNZKISA-N. The full InChI is InChI=1S/C22H19F7N2O4/c1-9-14(12-6-7-13(23)15(24)16(12)34-20(25)26)17(35-21(9,2)22(27,28)29)19(33)31-11-5-3-4-10(8-11)18(30)32/h3-9,14,17,20H,1-2H3,(H2,30,32)(H,31,33)/t9-,14+,17+,21-/m0/s1.
What are the key properties of (2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 508.39 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-N-(3-carbamoylphenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 156535680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).