5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide

C71H81Cl2FN8O12 — CID 158558953

IUPAC5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
SMILESCCCCOc1cc(CC2CNC(=O)N2)ccc1OC.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12
InChIInChI=1S/C22H14Cl2FN3O3.C18H24N2O3.C16H21NO3.C15H22N2O3/c23-17-8-26-9-18(24)20(17)27-22(31)21(30)16-11-28(10-12-1-3-13(25)4-2-12)19-6-5-14(29)7-15(16)19;1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13;1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h1-9,11,29H,10H2,(H,26,27,31);4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18);5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t;11-,13+,16+;;/m.1../s1
InChIKeyHQQIVAYSFFWNME-KXZIOZKOSA-N
MW1328.38 g/mol
LogP12.43
Rot. Bonds20

About 5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide

5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide (PubChem CID 158558953) has the molecular formula C71H81Cl2FN8O12 and a molecular weight of 1328.38 g/mol. Its IUPAC name is 5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
PubChem CID158558953
Molecular FormulaC71H81Cl2FN8O12
Molecular Weight1328.38 g/mol
Exact Mass1326.53
IUPAC Name5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
SMILESCCCCOc1cc(CC2CNC(=O)N2)ccc1OC.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12
InChIInChI=1S/C22H14Cl2FN3O3.C18H24N2O3.C16H21NO3.C15H22N2O3/c23-17-8-26-9-18(24)20(17)27-22(31)21(30)16-11-28(10-12-1-3-13(25)4-2-12)19-6-5-14(29)7-15(16)19;1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13;1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h1-9,11,29H,10H2,(H,26,27,31);4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18);5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t;11-,13+,16+;;/m.1../s1
InChIKeyHQQIVAYSFFWNME-KXZIOZKOSA-N
XLogP12.43
TPSA250.96 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001328.38
LogP ≤ 512.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide 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

2-[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 87660444
4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate
CID 158676657
4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexane-1-carboxylic acid;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
CID 158835337
N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide
CID 159757938
4-(3-cyclopentyloxy-4-methylphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
CID 160408373
4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
CID 160720934
4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane
CID 161084671
2-[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 173074986

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide?
The IUPAC name of 5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide (CID 158558953) is 5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide?
The canonical SMILES for 5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide is CCCCOc1cc(CC2CNC(=O)N2)ccc1OC.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12.
What is the InChIKey of 5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide?
The InChIKey is HQQIVAYSFFWNME-KXZIOZKOSA-N. The full InChI is InChI=1S/C22H14Cl2FN3O3.C18H24N2O3.C16H21NO3.C15H22N2O3/c23-17-8-26-9-18(24)20(17)27-22(31)21(30)16-11-28(10-12-1-3-13(25)4-2-12)19-6-5-14(29)7-15(16)19;1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13;1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h1-9,11,29H,10H2,(H,26,27,31);4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18);5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t;11-,13+,16+;;/m.1../s1.
What are the key properties of 5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide?
5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide has a molecular weight of 1328.38 g/mol, XLogP of 12.43, 20 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 158558953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).