N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide

C93H96F10N16O8 — CID 161064682

IUPACN-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide
SMILESCCN(C(=O)c1cc(C)ccc1-c1ncccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)ccc1-c1ncccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(F)cc1-c1ncccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1ccccc1-c1ncccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1
InChIInChI=1S/C24H26F2N4O2.2C23H23F3N4O2.C23H24F2N4O2/c1-5-30(17(3)15-32-21-10-8-18(14-29-21)24(4,25)26)23(31)20-13-16(2)7-9-19(20)22-27-11-6-12-28-22;1-4-30(15(2)14-32-20-9-6-16(13-29-20)23(3,25)26)22(31)18-8-7-17(24)12-19(18)21-27-10-5-11-28-21;1-4-30(15(2)14-32-20-9-6-16(13-29-20)23(3,25)26)22(31)19-12-17(24)7-8-18(19)21-27-10-5-11-28-21;1-4-29(16(2)15-31-20-11-10-17(14-28-20)23(3,24)25)22(30)19-9-6-5-8-18(19)21-26-12-7-13-27-21/h6-14,17H,5,15H2,1-4H3;2*5-13,15H,4,14H2,1-3H3;5-14,16H,4,15H2,1-3H3/t17-;2*15-;16-/m0000/s1
InChIKeyUDWACSJJGGYCQA-MBNUBLOXSA-N
MW1755.87 g/mol
LogP18.91
Rot. Bonds32

About N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide

N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide (PubChem CID 161064682) has the molecular formula C93H96F10N16O8 and a molecular weight of 1755.87 g/mol. Its IUPAC name is N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide
PubChem CID161064682
Molecular FormulaC93H96F10N16O8
Molecular Weight1755.87 g/mol
Exact Mass1754.74
IUPAC NameN-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide
SMILESCCN(C(=O)c1cc(C)ccc1-c1ncccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)ccc1-c1ncccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(F)cc1-c1ncccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1ccccc1-c1ncccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1
InChIInChI=1S/C24H26F2N4O2.2C23H23F3N4O2.C23H24F2N4O2/c1-5-30(17(3)15-32-21-10-8-18(14-29-21)24(4,25)26)23(31)20-13-16(2)7-9-19(20)22-27-11-6-12-28-22;1-4-30(15(2)14-32-20-9-6-16(13-29-20)23(3,25)26)22(31)18-8-7-17(24)12-19(18)21-27-10-5-11-28-21;1-4-30(15(2)14-32-20-9-6-16(13-29-20)23(3,25)26)22(31)19-12-17(24)7-8-18(19)21-27-10-5-11-28-21;1-4-29(16(2)15-31-20-11-10-17(14-28-20)23(3,24)25)22(30)19-9-6-5-8-18(19)21-26-12-7-13-27-21/h6-14,17H,5,15H2,1-4H3;2*5-13,15H,4,14H2,1-3H3;5-14,16H,4,15H2,1-3H3/t17-;2*15-;16-/m0000/s1
InChIKeyUDWACSJJGGYCQA-MBNUBLOXSA-N
XLogP18.91
TPSA272.84 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001755.87
LogP ≤ 518.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

Filorexant
CID 25128145
Dora-22
CID 25126515
Jnj-61393215
CID 139030979
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 90412585
(R/S)-(3-fluoro-2-(pyrimidin-2-yl)phenyl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 90442558
[(2R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 134141417
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 59396033
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone
CID 59396042
Orexin receptor antagonist 35
CID 71526649
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-pyrimidin-2-ylphenyl]methanone
CID 25124165
[6-[(5-Fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 46199464
Orexin receptor antagonist 33
CID 71526569

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide?
The IUPAC name of N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide (CID 161064682) is N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide is CCN(C(=O)c1cc(C)ccc1-c1ncccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)ccc1-c1ncccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(F)cc1-c1ncccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1ccccc1-c1ncccn1)[C@@H](C)COc1ccc(C(C)(F)F)cn1.
What is the InChIKey of N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide?
The InChIKey is UDWACSJJGGYCQA-MBNUBLOXSA-N. The full InChI is InChI=1S/C24H26F2N4O2.2C23H23F3N4O2.C23H24F2N4O2/c1-5-30(17(3)15-32-21-10-8-18(14-29-21)24(4,25)26)23(31)20-13-16(2)7-9-19(20)22-27-11-6-12-28-22;1-4-30(15(2)14-32-20-9-6-16(13-29-20)23(3,25)26)22(31)18-8-7-17(24)12-19(18)21-27-10-5-11-28-21;1-4-30(15(2)14-32-20-9-6-16(13-29-20)23(3,25)26)22(31)19-12-17(24)7-8-18(19)21-27-10-5-11-28-21;1-4-29(16(2)15-31-20-11-10-17(14-28-20)23(3,24)25)22(30)19-9-6-5-8-18(19)21-26-12-7-13-27-21/h6-14,17H,5,15H2,1-4H3;2*5-13,15H,4,14H2,1-3H3;5-14,16H,4,15H2,1-3H3/t17-;2*15-;16-/m0000/s1.
What are the key properties of N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide?
N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide has a molecular weight of 1755.87 g/mol, XLogP of 18.91, 32 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 161064682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).