N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide

C17H25F3N2O — CID 86890747

IUPACN-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(C)c1ccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)cc1
InChIInChI=1S/C17H25F3N2O/c1-6-21(5)14-9-7-13(8-10-14)15(23)22(11-16(2,3)4)12-17(18,19)20/h7-10H,6,11-12H2,1-5H3
InChIKeyUMHBGFAUEKSHGC-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.19
Rot. Bonds5

About N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide

N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 86890747) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID86890747
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC NameN-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(C)c1ccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)cc1
InChIInChI=1S/C17H25F3N2O/c1-6-21(5)14-9-7-13(8-10-14)15(23)22(11-16(2,3)4)12-17(18,19)20/h7-10H,6,11-12H2,1-5H3
InChIKeyUMHBGFAUEKSHGC-UHFFFAOYSA-N
XLogP4.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531024
3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531152
N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 56531059
4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858692
4-carbamothioyl-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009098
N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858694
4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531111
N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane
CID 142910544
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 62181870

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 86890747) is N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide is CCN(C)c1ccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is UMHBGFAUEKSHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-6-21(5)14-9-7-13(8-10-14)15(23)22(11-16(2,3)4)12-17(18,19)20/h7-10H,6,11-12H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 330.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 86890747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).