N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one

C83H90F5N11O11 — CID 159367301

About N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one

N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 159367301) has the molecular formula C83H90F5N11O11 and a molecular weight of 1512.69 g/mol. Its IUPAC name is N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 159367301
• Molecular Formula: C83H90F5N11O11
• Molecular Weight: 1512.69 g/mol
• Exact Mass: 1511.67
• IUPAC Name: N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
• SMILES: CN(Cc1ccc(C(C)(F)F)cc1)C(=O)c1ccc(OCc2nccn2C)cc1.O=C(COC(=O)C1(O)CCCCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.O=C(Cc1nnc(-c2ccccc2)o1)N1CCc2ccccc2C1.O=C([C@H]1CCN(c2ccccc2)C1=O)N1CCC(OCc2ccccn2)CC1
• InChI: InChI=1S/C22H23F2N3O2.C22H25N3O3.C20H25F3N2O4.C19H17N3O2/c1-22(23,24)18-8-4-16(5-9-18)14-27(3)21(28)17-6-10-19(11-7-17)29-15-20-25-12-13-26(20)2;26-21(20-11-15-25(22(20)27)18-7-2-1-3-8-18)24-13-9-19(10-14-24)28-16-17-6-4-5-12-23-17;21-20(22,23)15-5-4-6-16(13-15)24-9-11-25(12-10-24)17(26)14-29-18(27)19(28)7-2-1-3-8-19;23-18(22-11-10-14-6-4-5-9-16(14)13-22)12-17-20-21-19(24-17)15-7-2-1-3-8-15/h4-13H,14-15H2,1-3H3;1-8,12,19-20H,9-11,13-16H2;4-6,13,28H,1-3,7-12,14H2;1-9H,10-13H2/t;20-;;/m.1../s1
• InChIKey: LJHIBXSLABJIAQ-VPBLGSKMSA-N
• XLogP: 12.48
• TPSA: 239.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1512.69
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one?

The IUPAC name of N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one (CID 159367301) is N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one?

The canonical SMILES for N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one is CN(Cc1ccc(C(C)(F)F)cc1)C(=O)c1ccc(OCc2nccn2C)cc1.O=C(COC(=O)C1(O)CCCCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.O=C(Cc1nnc(-c2ccccc2)o1)N1CCc2ccccc2C1.O=C([C@H]1CCN(c2ccccc2)C1=O)N1CCC(OCc2ccccn2)CC1.

What is the InChIKey of N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one?

The InChIKey is LJHIBXSLABJIAQ-VPBLGSKMSA-N. The full InChI is InChI=1S/C22H23F2N3O2.C22H25N3O3.C20H25F3N2O4.C19H17N3O2/c1-22(23,24)18-8-4-16(5-9-18)14-27(3)21(28)17-6-10-19(11-7-17)29-15-20-25-12-13-26(20)2;26-21(20-11-15-25(22(20)27)18-7-2-1-3-8-18)24-13-9-19(10-14-24)28-16-17-6-4-5-12-23-17;21-20(22,23)15-5-4-6-16(13-15)24-9-11-25(12-10-24)17(26)14-29-18(27)19(28)7-2-1-3-8-19;23-18(22-11-10-14-6-4-5-9-16(14)13-22)12-17-20-21-19(24-17)15-7-2-1-3-8-15/h4-13H,14-15H2,1-3H3;1-8,12,19-20H,9-11,13-16H2;4-6,13,28H,1-3,7-12,14H2;1-9H,10-13H2/t;20-;;/m.1../s1.

What are the key properties of N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one?

N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 1512.69 g/mol, XLogP of 12.48, 19 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone;[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate;(3R)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 159367301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).