N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

C20H22F3NO2 — CID 46680510

IUPACN-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO2/c1-13(2)17-6-4-5-14(3)18(17)24-19(25)16-9-7-15(8-10-16)11-26-12-20(21,22)23/h4-10,13H,11-12H2,1-3H3,(H,24,25)
InChIKeyUVERLMDXGLMWBT-UHFFFAOYSA-N
MW365.40 g/mol
LogP5.45
Rot. Bonds6

About N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 46680510) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID46680510
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO2/c1-13(2)17-6-4-5-14(3)18(17)24-19(25)16-9-7-15(8-10-16)11-26-12-20(21,22)23/h4-10,13H,11-12H2,1-3H3,(H,24,25)
InChIKeyUVERLMDXGLMWBT-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.40
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 35849591
N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 2205983
3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 46699470
N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 30379466
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838438
N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43040959
4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 46689119
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
4-cyclopentyloxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 39885058

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 46680510) is N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is UVERLMDXGLMWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-13(2)17-6-4-5-14(3)18(17)24-19(25)16-9-7-15(8-10-16)11-26-12-20(21,22)23/h4-10,13H,11-12H2,1-3H3,(H,24,25).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 365.40 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 46680510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).