1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone

C186H259F7N6O16S — CID 157080499

IUPAC1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(CC(C)C)cc1.CC(=O)c1ccc(CC(C)C)cc1F.CC(=O)c1ccc(CC(C)C)cn1.CC(=O)c1cccc(CC(C)C)c1.CC(=O)c1ccccc1CC(C)C.CC(C)CC1CC1.CC(C)Cc1ccc(C(=O)N(C)C)cc1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(OC(C)(F)F)cc1.CC(C)Cc1ccc(OC(C)F)cc1.CC(C)Cc1ccc(S(C)(=O)=O)cc1.CC(C)Cc1cccc(C(=O)N(C)C)c1.CC(C)Cc1ccccc1OC(F)F.CCC(=O)c1ccc(CC(C)C)cc1.CNC(=O)c1cccc(CC(C)C)c1.Cc1ccc(CC(C)C)c(C(N)=O)c1
InChIInChI=1S/2C13H19NO.C13H18O.C12H16F2O.C12H17FO.C12H15FO.2C12H17NO.3C12H16O.C11H14F2O.C11H14FNO.C11H15NO.C11H16O2S.C7H14/c1-10(2)9-11-5-7-12(8-6-11)13(15)14(3)4;1-10(2)8-11-6-5-7-12(9-11)13(15)14(3)4;1-4-13(14)12-7-5-11(6-8-12)9-10(2)3;1-9(2)8-10-4-6-11(7-5-10)15-12(3,13)14;1-9(2)8-11-4-6-12(7-5-11)14-10(3)13;1-8(2)6-10-4-5-11(9(3)14)12(13)7-10;1-8(2)6-10-5-4-9(3)7-11(10)12(13)14;1-9(2)7-10-5-4-6-11(8-10)12(14)13-3;1-9(2)8-11-4-6-12(7-5-11)10(3)13;1-9(2)7-11-5-4-6-12(8-11)10(3)13;1-9(2)8-11-6-4-5-7-12(11)10(3)13;1-8(2)7-9-5-3-4-6-10(9)14-11(12)13;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-8(2)6-10-4-5-11(9(3)13)12-7-10;1-9(2)8-10-4-6-11(7-5-10)14(3,12)13;1-6(2)5-7-3-4-7/h5-8,10H,9H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-8,10H,4,9H2,1-3H3;4-7,9H,8H2,1-3H3;4-7,9-10H,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3,(H2,13,14);4-6,8-9H,7H2,1-3H3,(H,13,14);4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,13,14);4-5,7-8H,6H2,1-3H3;4-7,9H,8H2,1-3H3;6-7H,3-5H2,1-2H3
InChIKeyADMIVLBRNXPPHQ-UHFFFAOYSA-N
MW3000.20 g/mol
LogP45.96
Rot. Bonds51

About 1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone

1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone (PubChem CID 157080499) has the molecular formula C186H259F7N6O16S and a molecular weight of 3000.20 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone
PubChem CID157080499
Molecular FormulaC186H259F7N6O16S
Molecular Weight3000.20 g/mol
Exact Mass2997.92
IUPAC Name1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(CC(C)C)cc1.CC(=O)c1ccc(CC(C)C)cc1F.CC(=O)c1ccc(CC(C)C)cn1.CC(=O)c1cccc(CC(C)C)c1.CC(=O)c1ccccc1CC(C)C.CC(C)CC1CC1.CC(C)Cc1ccc(C(=O)N(C)C)cc1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(OC(C)(F)F)cc1.CC(C)Cc1ccc(OC(C)F)cc1.CC(C)Cc1ccc(S(C)(=O)=O)cc1.CC(C)Cc1cccc(C(=O)N(C)C)c1.CC(C)Cc1ccccc1OC(F)F.CCC(=O)c1ccc(CC(C)C)cc1.CNC(=O)c1cccc(CC(C)C)c1.Cc1ccc(CC(C)C)c(C(N)=O)c1
InChIInChI=1S/2C13H19NO.C13H18O.C12H16F2O.C12H17FO.C12H15FO.2C12H17NO.3C12H16O.C11H14F2O.C11H14FNO.C11H15NO.C11H16O2S.C7H14/c1-10(2)9-11-5-7-12(8-6-11)13(15)14(3)4;1-10(2)8-11-6-5-7-12(9-11)13(15)14(3)4;1-4-13(14)12-7-5-11(6-8-12)9-10(2)3;1-9(2)8-10-4-6-11(7-5-10)15-12(3,13)14;1-9(2)8-11-4-6-12(7-5-11)14-10(3)13;1-8(2)6-10-4-5-11(9(3)14)12(13)7-10;1-8(2)6-10-5-4-9(3)7-11(10)12(13)14;1-9(2)7-10-5-4-6-11(8-10)12(14)13-3;1-9(2)8-11-4-6-12(7-5-11)10(3)13;1-9(2)7-11-5-4-6-12(8-11)10(3)13;1-9(2)8-11-6-4-5-7-12(11)10(3)13;1-8(2)7-9-5-3-4-6-10(9)14-11(12)13;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-8(2)6-10-4-5-11(9(3)13)12-7-10;1-9(2)8-10-4-6-11(7-5-10)14(3,12)13;1-6(2)5-7-3-4-7/h5-8,10H,9H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-8,10H,4,9H2,1-3H3;4-7,9H,8H2,1-3H3;4-7,9-10H,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3,(H2,13,14);4-6,8-9H,7H2,1-3H3,(H,13,14);4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,13,14);4-5,7-8H,6H2,1-3H3;4-7,9H,8H2,1-3H3;6-7H,3-5H2,1-2H3
InChIKeyADMIVLBRNXPPHQ-UHFFFAOYSA-N
XLogP45.96
TPSA333.04 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds51
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003000.20
LogP ≤ 545.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone with MolForge

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Related Compounds

2-chloro-N,N-dimethylbenzamide;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-2-methylbenzene;1-chloro-4-propan-2-yloxybenzene;1,3-dichlorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;2-fluoro-1,4-dimethylbenzene;4-fluoro-N-methylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;(4-fluorophenyl)methanol;1-fluoro-3-propoxybenzene;1-fluoro-4-propylbenzene;1-fluoro-3-(trifluoromethoxy)benzene;N-methylbenzamide
CID 159631691
7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3-acetylphenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-cyclobutyl-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-fluoro-4-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
CID 161485804
N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one
CID 159258765
1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2-(difluoromethoxy)-1-fluoro-4-(2-methylpropyl)benzene;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 158633912
3-tert-butylbenzamide;bis(4-tert-butylbenzamide);4-tert-butylbenzenesulfonamide;3-tert-butylbenzonitrile;1-tert-butyl-4-chlorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;1-(3-tert-butylphenyl)-2-cyclopropylethanone;N-(3-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(3-tert-butylphenyl)propan-1-one;5-(4-tert-butylphenyl)-2H-tetrazole;1-tert-butyl-4-(trifluoromethyl)benzene;4-[(2-methylpropan-2-yl)oxy]pyridine
CID 161296224
1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea
CID 157188916
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N-[3-benzyl-4-(difluoromethoxy)phenyl]-3-methylsulfonylbenzamide
CID 24525215
2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46422070
2-bromo-5-(2-methylpropyl)phenol;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1,3-difluoro-5-(2-methylpropyl)benzene;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 162217708
3-[[[[[2-(difluoromethoxy)phenyl]methylamino]-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111865424
N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide
CID 46424518

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone (CID 157080499) is 1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone is CC(=O)c1ccc(CC(C)C)cc1.CC(=O)c1ccc(CC(C)C)cc1F.CC(=O)c1ccc(CC(C)C)cn1.CC(=O)c1cccc(CC(C)C)c1.CC(=O)c1ccccc1CC(C)C.CC(C)CC1CC1.CC(C)Cc1ccc(C(=O)N(C)C)cc1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(OC(C)(F)F)cc1.CC(C)Cc1ccc(OC(C)F)cc1.CC(C)Cc1ccc(S(C)(=O)=O)cc1.CC(C)Cc1cccc(C(=O)N(C)C)c1.CC(C)Cc1ccccc1OC(F)F.CCC(=O)c1ccc(CC(C)C)cc1.CNC(=O)c1cccc(CC(C)C)c1.Cc1ccc(CC(C)C)c(C(N)=O)c1.
What is the InChIKey of 1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone?
The InChIKey is ADMIVLBRNXPPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H19NO.C13H18O.C12H16F2O.C12H17FO.C12H15FO.2C12H17NO.3C12H16O.C11H14F2O.C11H14FNO.C11H15NO.C11H16O2S.C7H14/c1-10(2)9-11-5-7-12(8-6-11)13(15)14(3)4;1-10(2)8-11-6-5-7-12(9-11)13(15)14(3)4;1-4-13(14)12-7-5-11(6-8-12)9-10(2)3;1-9(2)8-10-4-6-11(7-5-10)15-12(3,13)14;1-9(2)8-11-4-6-12(7-5-11)14-10(3)13;1-8(2)6-10-4-5-11(9(3)14)12(13)7-10;1-8(2)6-10-5-4-9(3)7-11(10)12(13)14;1-9(2)7-10-5-4-6-11(8-10)12(14)13-3;1-9(2)8-11-4-6-12(7-5-11)10(3)13;1-9(2)7-11-5-4-6-12(8-11)10(3)13;1-9(2)8-11-6-4-5-7-12(11)10(3)13;1-8(2)7-9-5-3-4-6-10(9)14-11(12)13;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-8(2)6-10-4-5-11(9(3)13)12-7-10;1-9(2)8-10-4-6-11(7-5-10)14(3,12)13;1-6(2)5-7-3-4-7/h5-8,10H,9H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-8,10H,4,9H2,1-3H3;4-7,9H,8H2,1-3H3;4-7,9-10H,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3,(H2,13,14);4-6,8-9H,7H2,1-3H3,(H,13,14);4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,13,14);4-5,7-8H,6H2,1-3H3;4-7,9H,8H2,1-3H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone?
1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone has a molecular weight of 3000.20 g/mol, XLogP of 45.96, 51 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 157080499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).