(2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C22H20ClF5N2O4 — CID 177360210

IUPAC(2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc(Cl)nc3C(C)=O)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H20ClF5N2O4/c1-9-15(11-5-6-12(24)16(25)18(11)33-4)19(34-21(9,3)22(26,27)28)20(32)29-13-7-8-14(23)30-17(13)10(2)31/h5-9,15,19H,1-4H3,(H,29,32)/t9-,15-,19+,21+/m0/s1
InChIKeyCFIHDNCXGXRSLE-VNXQSDSGSA-N
MW506.86 g/mol
LogP5.30
Rot. Bonds5

About (2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 177360210) has the molecular formula C22H20ClF5N2O4 and a molecular weight of 506.86 g/mol. Its IUPAC name is (2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID177360210
Molecular FormulaC22H20ClF5N2O4
Molecular Weight506.86 g/mol
Exact Mass506.10
IUPAC Name(2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc(Cl)nc3C(C)=O)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H20ClF5N2O4/c1-9-15(11-5-6-12(24)16(25)18(11)33-4)19(34-21(9,3)22(26,27)28)20(32)29-13-7-8-14(23)30-17(13)10(2)31/h5-9,15,19H,1-4H3,(H,29,32)/t9-,15-,19+,21+/m0/s1
InChIKeyCFIHDNCXGXRSLE-VNXQSDSGSA-N
XLogP5.30
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.86
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 177360210) is (2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3ccc(Cl)nc3C(C)=O)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.
What is the InChIKey of (2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is CFIHDNCXGXRSLE-VNXQSDSGSA-N. The full InChI is InChI=1S/C22H20ClF5N2O4/c1-9-15(11-5-6-12(24)16(25)18(11)33-4)19(34-21(9,3)22(26,27)28)20(32)29-13-7-8-14(23)30-17(13)10(2)31/h5-9,15,19H,1-4H3,(H,29,32)/t9-,15-,19+,21+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 506.86 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 177360210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).