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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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

C103H112F8N14O14 — CID 160541137

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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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 160541137) has the molecular formula C103H112F8N14O14 and a molecular weight of 1922.10 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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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: 160541137
• Molecular Formula: C103H112F8N14O14
• Molecular Weight: 1922.10 g/mol
• Exact Mass: 1920.84
• 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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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.O=C1CCC(CCC(=O)N2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)=NN1
• InChI: InChI=1S/C22H23F2N3O2.C22H25N3O3.C20H22F3N3O3.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)15-5-1-3-13(11-15)19(29)14-4-2-10-26(12-14)18(28)9-7-16-6-8-17(27)25-24-16;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;1,3,5,11,14H,2,4,6-10,12H2,(H,25,27);4-6,13,28H,1-3,7-12,14H2;1-9H,10-13H2/t;20-;14-;;/m.10../s1
• InChIKey: QWUMNDNUFBLFCE-KUWFDYOLSA-N
• XLogP: 15.65
• TPSA: 318.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1922.10
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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 160541137) 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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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.O=C1CCC(CCC(=O)N2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)=NN1.

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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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 QWUMNDNUFBLFCE-KUWFDYOLSA-N. The full InChI is InChI=1S/C22H23F2N3O2.C22H25N3O3.C20H22F3N3O3.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)15-5-1-3-13(11-15)19(29)14-4-2-10-26(12-14)18(28)9-7-16-6-8-17(27)25-24-16;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;1,3,5,11,14H,2,4,6-10,12H2,(H,25,27);4-6,13,28H,1-3,7-12,14H2;1-9H,10-13H2/t;20-;14-;;/m.10../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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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 1922.10 g/mol, XLogP of 15.65, 24 rotatable bonds, 2 hydrogen bond donors, and 21 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;3-[3-oxo-3-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one;[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 160541137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).