3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene

C123H139F9N4O8S2 — CID 158318682

IUPAC3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1.CC(C)(C)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1.CN(C)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1.CN(C)C(=O)c1cccc(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/2C19H23NO.2C17H17F3O.C17H17F3.2C17H21NO2S/c1-19(2,3)17-12-10-15(11-13-17)14-6-8-16(9-7-14)18(21)20(4)5;1-19(2,3)17-11-9-14(10-12-17)15-7-6-8-16(13-15)18(21)20(4)5;1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)21-17(18,19)20;1-16(2,3)14-9-7-12(8-10-14)13-5-4-6-15(11-13)21-17(18,19)20;1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)17(18,19)20;1-17(2,3)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-21(4,19)20;1-17(2,3)15-10-8-13(9-11-15)14-6-5-7-16(12-14)18-21(4,19)20/h2*6-13H,1-5H3;2*4-11H,1-3H3;4-11H,1-3H3;2*5-12,18H,1-4H3
InChIKeyGOOQKHOYQHFWGY-UHFFFAOYSA-N
MW2036.60 g/mol
LogP33.52
Rot. Bonds15

About 3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene

3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 158318682) has the molecular formula C123H139F9N4O8S2 and a molecular weight of 2036.60 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID158318682
Molecular FormulaC123H139F9N4O8S2
Molecular Weight2036.60 g/mol
Exact Mass2034.99
IUPAC Name3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1.CC(C)(C)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1.CN(C)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1.CN(C)C(=O)c1cccc(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/2C19H23NO.2C17H17F3O.C17H17F3.2C17H21NO2S/c1-19(2,3)17-12-10-15(11-13-17)14-6-8-16(9-7-14)18(21)20(4)5;1-19(2,3)17-11-9-14(10-12-17)15-7-6-8-16(13-15)18(21)20(4)5;1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)21-17(18,19)20;1-16(2,3)14-9-7-12(8-10-14)13-5-4-6-15(11-13)21-17(18,19)20;1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)17(18,19)20;1-17(2,3)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-21(4,19)20;1-17(2,3)15-10-8-13(9-11-15)14-6-5-7-16(12-14)18-21(4,19)20/h2*6-13H,1-5H3;2*4-11H,1-3H3;4-11H,1-3H3;2*5-12,18H,1-4H3
InChIKeyGOOQKHOYQHFWGY-UHFFFAOYSA-N
XLogP33.52
TPSA151.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002036.60
LogP ≤ 533.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene (CID 158318682) is 3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene is CC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1.CC(C)(C)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1.CN(C)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1.CN(C)C(=O)c1cccc(-c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is GOOQKHOYQHFWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H23NO.2C17H17F3O.C17H17F3.2C17H21NO2S/c1-19(2,3)17-12-10-15(11-13-17)14-6-8-16(9-7-14)18(21)20(4)5;1-19(2,3)17-11-9-14(10-12-17)15-7-6-8-16(13-15)18(21)20(4)5;1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)21-17(18,19)20;1-16(2,3)14-9-7-12(8-10-14)13-5-4-6-15(11-13)21-17(18,19)20;1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)17(18,19)20;1-17(2,3)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-21(4,19)20;1-17(2,3)15-10-8-13(9-11-15)14-6-5-7-16(12-14)18-21(4,19)20/h2*6-13H,1-5H3;2*4-11H,1-3H3;4-11H,1-3H3;2*5-12,18H,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene?
3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 2036.60 g/mol, XLogP of 33.52, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N,N-dimethylbenzamide;4-(4-tert-butylphenyl)-N,N-dimethylbenzamide;N-[3-(4-tert-butylphenyl)phenyl]methanesulfonamide;N-[4-(4-tert-butylphenyl)phenyl]methanesulfonamide;1-tert-butyl-4-[3-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethoxy)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 158318682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).