N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide

C13H14F3NO3 — CID 166390956

IUPACN-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(O)c(OC(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H14F3NO3/c1-17(9-3-4-9)12(19)7-8-2-5-10(18)11(6-8)20-13(14,15)16/h2,5-6,9,18H,3-4,7H2,1H3
InChIKeyNMLMPNGPOCRJFV-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.45
Rot. Bonds4

About N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide

N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide (PubChem CID 166390956) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide
PubChem CID166390956
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC NameN-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(O)c(OC(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H14F3NO3/c1-17(9-3-4-9)12(19)7-8-2-5-10(18)11(6-8)20-13(14,15)16/h2,5-6,9,18H,3-4,7H2,1H3
InChIKeyNMLMPNGPOCRJFV-UHFFFAOYSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638973
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide
CID 122151629
2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide
CID 176515895
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567
4-(2-aminoethyl)-2-(trifluoromethoxy)phenol
CID 170868556
4-(3-methylbutyl)-2-(trifluoromethoxy)phenol
CID 123306584
2-(3,4-dimethylphenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 62537495
2-(4-fluorophenyl)-N-methyl-N-(4-oxocyclohexyl)acetamide
CID 79120059
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 79121866
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide (CID 166390956) is N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide is CN(C(=O)Cc1ccc(O)c(OC(F)(F)F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide?
The InChIKey is NMLMPNGPOCRJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-17(9-3-4-9)12(19)7-8-2-5-10(18)11(6-8)20-13(14,15)16/h2,5-6,9,18H,3-4,7H2,1H3.
What are the key properties of N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide?
N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide has a molecular weight of 289.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide is sourced from PubChem (CID 166390956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).