4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene

C107H155F6N7O9S — CID 158183657

About 4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene

4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene (PubChem CID 158183657) has the molecular formula C107H155F6N7O9S and a molecular weight of 1829.51 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

• Compound Name: 4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene
• PubChem CID: 158183657
• Molecular Formula: C107H155F6N7O9S
• Molecular Weight: 1829.51 g/mol
• Exact Mass: 1828.15
• IUPAC Name: 4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene
• SMILES: C.CC(C)Cc1ccc(F)c(OC(C)C)c1.CC(C)Cc1cccc(CNC(N)=O)c1.CC(C)Cc1cccc(F)c1.CC(C)Cc1cccc(NC(N)=O)c1.CC(C)Cc1cccc(OCC(F)(F)F)c1.CC(C)Cc1cccc(S(N)(=O)=O)c1.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CNC(=O)c1ccc(CC(C)(C)C)cc1.COc1cc(CC(C)C)ccc1F
• InChI: InChI=1S/C14H21NO.C13H19FO.C13H19NO.C12H15F3O.C12H18N2O.C11H15FO.C11H16N2O.C10H13F.C10H15NO2S.CH4/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-9(2)7-11-5-6-12(14)13(8-11)15-10(3)4;1-13(2,3)9-10-5-7-11(8-6-10)12(15)14-4;1-9(2)6-10-4-3-5-11(7-10)16-8-12(13,14)15;1-9(2)6-10-4-3-5-11(7-10)8-14-12(13)15;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-8(2)6-9-4-3-5-10(7-9)13-11(12)14;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)6-9-4-3-5-10(7-9)14(11,12)13;/h6-9H,10H2,1-5H3;5-6,8-10H,7H2,1-4H3;5-8H,9H2,1-4H3,(H,14,15);3-5,7,9H,6,8H2,1-2H3;3-5,7,9H,6,8H2,1-2H3,(H3,13,14,15);4-5,7-8H,6H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H3,12,13,14);3-5,7-8H,6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,11,12,13);1H4
• InChIKey: FYWWBVQNHYGYQK-UHFFFAOYSA-N
• XLogP: 25.90
• TPSA: 247.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 27
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1829.51
LogP ≤ 5	25.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene?

The IUPAC name of 4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene (CID 158183657) is 4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene.

What is the SMILES notation for 4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene?

The canonical SMILES for 4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene is C.CC(C)Cc1ccc(F)c(OC(C)C)c1.CC(C)Cc1cccc(CNC(N)=O)c1.CC(C)Cc1cccc(F)c1.CC(C)Cc1cccc(NC(N)=O)c1.CC(C)Cc1cccc(OCC(F)(F)F)c1.CC(C)Cc1cccc(S(N)(=O)=O)c1.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CNC(=O)c1ccc(CC(C)(C)C)cc1.COc1cc(CC(C)C)ccc1F.

What is the InChIKey of 4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene?

The InChIKey is FYWWBVQNHYGYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C13H19FO.C13H19NO.C12H15F3O.C12H18N2O.C11H15FO.C11H16N2O.C10H13F.C10H15NO2S.CH4/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-9(2)7-11-5-6-12(14)13(8-11)15-10(3)4;1-13(2,3)9-10-5-7-11(8-6-10)12(15)14-4;1-9(2)6-10-4-3-5-11(7-10)16-8-12(13,14)15;1-9(2)6-10-4-3-5-11(7-10)8-14-12(13)15;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-8(2)6-9-4-3-5-10(7-9)13-11(12)14;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)6-9-4-3-5-10(7-9)14(11,12)13;/h6-9H,10H2,1-5H3;5-6,8-10H,7H2,1-4H3;5-8H,9H2,1-4H3,(H,14,15);3-5,7,9H,6,8H2,1-2H3;3-5,7,9H,6,8H2,1-2H3,(H3,13,14,15);4-5,7-8H,6H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H3,12,13,14);3-5,7-8H,6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,11,12,13);1H4.

What are the key properties of 4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene?

4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 1829.51 g/mol, XLogP of 25.90, 27 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;methane;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 158183657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).