4-[[1-adamantylmethyl(methyl)amino]methyl]-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;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide

C148H200ClF6N9O7 — CID 159228197

IUPAC4-[[1-adamantylmethyl(methyl)amino]methyl]-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;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(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)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.C21H28ClNO.C21H27F2NO.C21H28FNO.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;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)18-5-4-14(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);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);4-5,10,15-17H,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)
InChIKeyKSOCQIXWWKNZQG-UHFFFAOYSA-N
MW2366.72 g/mol
LogP33.00
Rot. Bonds35

About 4-[[1-adamantylmethyl(methyl)amino]methyl]-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;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-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;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 159228197) has the molecular formula C148H200ClF6N9O7 and a molecular weight of 2366.72 g/mol. Its IUPAC name is 4-[[1-adamantylmethyl(methyl)amino]methyl]-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;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-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;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID159228197
Molecular FormulaC148H200ClF6N9O7
Molecular Weight2366.72 g/mol
Exact Mass2364.52
IUPAC Name4-[[1-adamantylmethyl(methyl)amino]methyl]-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;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(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)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.C21H28ClNO.C21H27F2NO.C21H28FNO.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;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)18-5-4-14(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);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);4-5,10,15-17H,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)
InChIKeyKSOCQIXWWKNZQG-UHFFFAOYSA-N
XLogP33.00
TPSA219.83 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds35
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002366.72
LogP ≤ 533.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze 4-[[1-adamantylmethyl(methyl)amino]methyl]-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;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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Related Compounds

N-(1-adamantylmethyl)-5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
CID 122188727
N-[(2-chloro-3,6-difluorophenyl)methyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carboxamide
CID 21914510
N-[(4-chlorophenyl)methyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carboxamide
CID 21914533
N-[(3-chloro-2-fluorophenyl)methyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carboxamide
CID 21914543
N-[(3-chloro-4-fluorophenyl)methyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carboxamide
CID 21914547
N-[(5-chloro-2-fluorophenyl)methyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carboxamide
CID 21914554
N-[(3-chloro-2,6-difluorophenyl)methyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carboxamide
CID 21914572
N-[(2-chlorophenyl)methyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carboxamide
CID 21914589
N-[(3-chlorophenyl)methyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carboxamide
CID 21914594
N-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carboxamide
CID 21914609
3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide
CID 57430041
N-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide
CID 57658085

Frequently Asked Questions

What is the IUPAC name of 4-[[1-adamantylmethyl(methyl)amino]methyl]-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;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-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;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide (CID 159228197) is 4-[[1-adamantylmethyl(methyl)amino]methyl]-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;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-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;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-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;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(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)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-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;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is KSOCQIXWWKNZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3NO.C22H31NO.C21H28ClNO.C21H27F2NO.C21H28FNO.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;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)18-5-4-14(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);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);4-5,10,15-17H,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-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;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-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;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 2366.72 g/mol, XLogP of 33.00, 35 rotatable bonds, 7 hydrogen bond donors, and 9 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-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;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159228197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).