4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

C16H22F3NO2 — CID 86938126

IUPAC4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1ccc(C(=O)N(CC(C)C)CC(F)(F)F)cc1C
InChIInChI=1S/C16H22F3NO2/c1-5-22-14-7-6-13(8-12(14)4)15(21)20(9-11(2)3)10-16(17,18)19/h6-8,11H,5,9-10H2,1-4H3
InChIKeyQERDMEUBKUWJBJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.05
Rot. Bonds6

About 4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 86938126) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID86938126
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1ccc(C(=O)N(CC(C)C)CC(F)(F)F)cc1C
InChIInChI=1S/C16H22F3NO2/c1-5-22-14-7-6-13(8-12(14)4)15(21)20(9-11(2)3)10-16(17,18)19/h6-8,11H,5,9-10H2,1-4H3
InChIKeyQERDMEUBKUWJBJ-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61109632
3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103707119
4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094536
N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
CID 110762336
3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 113226067
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257768
4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103956777
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
2,2,2-trifluoro-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 91656792
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 86938126) is 4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is CCOc1ccc(C(=O)N(CC(C)C)CC(F)(F)F)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is QERDMEUBKUWJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-5-22-14-7-6-13(8-12(14)4)15(21)20(9-11(2)3)10-16(17,18)19/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of 4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 317.35 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 86938126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).