4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide

C190H256BrClF7N11O9 — CID 164947586

IUPAC4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide
SMILESCNC(=O)c1cc(F)c(CCCC23CC4CC(CC(C4)C2)C3)c(F)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(Br)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(C)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(Cl)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(F)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)cc1F.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)nc1.CNC(=O)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H28F3NO.C22H31NO.C21H28BrNO.C21H28ClNO.C21H27F2NO.2C21H28FNO.C21H30N2O.C20H28N2O/c1-26-20(27)18-5-4-17(19(10-18)22(23,24)25)3-2-6-21-11-14-7-15(12-21)9-16(8-14)13-21;1-15-8-20(21(24)23-2)6-5-19(15)4-3-7-22-12-16-9-17(13-22)11-18(10-16)14-22;2*1-23-20(24)18-5-4-17(19(22)10-18)3-2-6-21-11-14-7-15(12-21)9-16(8-14)13-21;1-24-20(25)16-8-18(22)17(19(23)9-16)3-2-4-21-10-13-5-14(11-21)7-15(6-13)12-21;1-23-20(24)18-5-4-17(19(22)10-18)3-2-6-21-11-14-7-15(12-21)9-16(8-14)13-21;1-23-20(24)18-5-4-14(10-19(18)22)3-2-6-21-11-15-7-16(12-21)9-17(8-15)13-21;1-22-20(24)19-5-3-15(4-6-19)13-23(2)14-21-10-16-7-17(11-21)9-18(8-16)12-21;1-21-19(23)17-4-5-18(22-13-17)3-2-6-20-10-14-7-15(11-20)9-16(8-14)12-20/h4-5,10,14-16H,2-3,6-9,11-13H2,1H3,(H,26,27);5-6,8,16-18H,3-4,7,9-14H2,1-2H3,(H,23,24);2*4-5,10,14-16H,2-3,6-9,11-13H2,1H3,(H,23,24);8-9,13-15H,2-7,10-12H2,1H3,(H,24,25);4-5,10,14-16H,2-3,6-9,11-13H2,1H3,(H,23,24);4-5,10,15-17H,2-3,6-9,11-13H2,1H3,(H,23,24);3-6,16-18H,7-14H2,1-2H3,(H,22,24);4-5,13-16H,2-3,6-12H2,1H3,(H,21,23)
InChIKeyACAHRLCNMAIVJA-UHFFFAOYSA-N
MW3086.55 g/mol
LogP43.07
Rot. Bonds45

About 4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide

4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 164947586) has the molecular formula C190H256BrClF7N11O9 and a molecular weight of 3086.55 g/mol. Its IUPAC name is 4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID164947586
Molecular FormulaC190H256BrClF7N11O9
Molecular Weight3086.55 g/mol
Exact Mass3082.87
IUPAC Name4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide
SMILESCNC(=O)c1cc(F)c(CCCC23CC4CC(CC(C4)C2)C3)c(F)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(Br)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(C)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(Cl)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(F)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)cc1F.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)nc1.CNC(=O)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H28F3NO.C22H31NO.C21H28BrNO.C21H28ClNO.C21H27F2NO.2C21H28FNO.C21H30N2O.C20H28N2O/c1-26-20(27)18-5-4-17(19(10-18)22(23,24)25)3-2-6-21-11-14-7-15(12-21)9-16(8-14)13-21;1-15-8-20(21(24)23-2)6-5-19(15)4-3-7-22-12-16-9-17(13-22)11-18(10-16)14-22;2*1-23-20(24)18-5-4-17(19(22)10-18)3-2-6-21-11-14-7-15(12-21)9-16(8-14)13-21;1-24-20(25)16-8-18(22)17(19(23)9-16)3-2-4-21-10-13-5-14(11-21)7-15(6-13)12-21;1-23-20(24)18-5-4-17(19(22)10-18)3-2-6-21-11-14-7-15(12-21)9-16(8-14)13-21;1-23-20(24)18-5-4-14(10-19(18)22)3-2-6-21-11-15-7-16(12-21)9-17(8-15)13-21;1-22-20(24)19-5-3-15(4-6-19)13-23(2)14-21-10-16-7-17(11-21)9-18(8-16)12-21;1-21-19(23)17-4-5-18(22-13-17)3-2-6-20-10-14-7-15(11-20)9-16(8-14)12-20/h4-5,10,14-16H,2-3,6-9,11-13H2,1H3,(H,26,27);5-6,8,16-18H,3-4,7,9-14H2,1-2H3,(H,23,24);2*4-5,10,14-16H,2-3,6-9,11-13H2,1H3,(H,23,24);8-9,13-15H,2-7,10-12H2,1H3,(H,24,25);4-5,10,14-16H,2-3,6-9,11-13H2,1H3,(H,23,24);4-5,10,15-17H,2-3,6-9,11-13H2,1H3,(H,23,24);3-6,16-18H,7-14H2,1-2H3,(H,22,24);4-5,13-16H,2-3,6-12H2,1H3,(H,21,23)
InChIKeyACAHRLCNMAIVJA-UHFFFAOYSA-N
XLogP43.07
TPSA278.03 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds45
Heavy Atoms219
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003086.55
LogP ≤ 543.07
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze 4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide (CID 164947586) is 4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide is CNC(=O)c1cc(F)c(CCCC23CC4CC(CC(C4)C2)C3)c(F)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(Br)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(C)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(Cl)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)c(F)c1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)cc1F.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)nc1.CNC(=O)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is ACAHRLCNMAIVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3NO.C22H31NO.C21H28BrNO.C21H28ClNO.C21H27F2NO.2C21H28FNO.C21H30N2O.C20H28N2O/c1-26-20(27)18-5-4-17(19(10-18)22(23,24)25)3-2-6-21-11-14-7-15(12-21)9-16(8-14)13-21;1-15-8-20(21(24)23-2)6-5-19(15)4-3-7-22-12-16-9-17(13-22)11-18(10-16)14-22;2*1-23-20(24)18-5-4-17(19(22)10-18)3-2-6-21-11-14-7-15(12-21)9-16(8-14)13-21;1-24-20(25)16-8-18(22)17(19(23)9-16)3-2-4-21-10-13-5-14(11-21)7-15(6-13)12-21;1-23-20(24)18-5-4-17(19(22)10-18)3-2-6-21-11-14-7-15(12-21)9-16(8-14)13-21;1-23-20(24)18-5-4-14(10-19(18)22)3-2-6-21-11-15-7-16(12-21)9-17(8-15)13-21;1-22-20(24)19-5-3-15(4-6-19)13-23(2)14-21-10-16-7-17(11-21)9-18(8-16)12-21;1-21-19(23)17-4-5-18(22-13-17)3-2-6-20-10-14-7-15(11-20)9-16(8-14)12-20/h4-5,10,14-16H,2-3,6-9,11-13H2,1H3,(H,26,27);5-6,8,16-18H,3-4,7,9-14H2,1-2H3,(H,23,24);2*4-5,10,14-16H,2-3,6-9,11-13H2,1H3,(H,23,24);8-9,13-15H,2-7,10-12H2,1H3,(H,24,25);4-5,10,14-16H,2-3,6-9,11-13H2,1H3,(H,23,24);4-5,10,15-17H,2-3,6-9,11-13H2,1H3,(H,23,24);3-6,16-18H,7-14H2,1-2H3,(H,22,24);4-5,13-16H,2-3,6-12H2,1H3,(H,21,23).
What are the key properties of 4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide?
4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 3086.55 g/mol, XLogP of 43.07, 45 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 164947586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).