4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide

C13H16F3NO2 — CID 103956777

IUPAC4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C13H16F3NO2/c1-3-6-17(8-13(14,15)16)12(19)10-4-5-11(18)9(2)7-10/h4-5,7,18H,3,6,8H2,1-2H3
InChIKeyAELNPEWPEZRBPI-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.12
Rot. Bonds4

About 4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide

4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 103956777) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID103956777
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C13H16F3NO2/c1-3-6-17(8-13(14,15)16)12(19)10-4-5-11(18)9(2)7-10/h4-5,7,18H,3,6,8H2,1-2H3
InChIKeyAELNPEWPEZRBPI-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-hydroxy-3-methyl-N-propylbenzamide
CID 107672177
4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 63214137
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492674
5-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 55256550
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60778275
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide
CID 107673175
N-(2-hydroxyethyl)-3-methyl-4-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 103857285

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide (CID 103956777) is 4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide is CCCN(CC(F)(F)F)C(=O)c1ccc(O)c(C)c1.
What is the InChIKey of 4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AELNPEWPEZRBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-6-17(8-13(14,15)16)12(19)10-4-5-11(18)9(2)7-10/h4-5,7,18H,3,6,8H2,1-2H3.
What are the key properties of 4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 103956777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).