2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C15H19F3N2O2 — CID 111858807

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(O)C1CC1
InChIInChI=1S/C15H19F3N2O2/c1-20(8-13(21)10-6-7-10)9-14(22)19-12-5-3-2-4-11(12)15(16,17)18/h2-5,10,13,21H,6-9H2,1H3,(H,19,22)
InChIKeyICSLGHJLPDWVGP-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.35
Rot. Bonds6

About 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 111858807) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID111858807
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(O)C1CC1
InChIInChI=1S/C15H19F3N2O2/c1-20(8-13(21)10-6-7-10)9-14(22)19-12-5-3-2-4-11(12)15(16,17)18/h2-5,10,13,21H,6-9H2,1H3,(H,19,22)
InChIKeyICSLGHJLPDWVGP-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858986
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide
CID 111858641
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 8559717
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-phenylphenyl)acetamide
CID 17427414
methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate
CID 9286444
3-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 24589134
2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600898
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566193

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 111858807) is 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)CC(O)C1CC1.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ICSLGHJLPDWVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-20(8-13(21)10-6-7-10)9-14(22)19-12-5-3-2-4-11(12)15(16,17)18/h2-5,10,13,21H,6-9H2,1H3,(H,19,22).
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 316.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 111858807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).