N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide

C18H18F3NO3 — CID 51126499

IUPACN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3NO3/c1-25-11-12-6-2-3-7-13(12)17(24)22-10-16(23)14-8-4-5-9-15(14)18(19,20)21/h2-9,16,23H,10-11H2,1H3,(H,22,24)
InChIKeyULBVBKDPLPOJCI-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.32
Rot. Bonds6

About N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide (PubChem CID 51126499) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide
PubChem CID51126499
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3NO3/c1-25-11-12-6-2-3-7-13(12)17(24)22-10-16(23)14-8-4-5-9-15(14)18(19,20)21/h2-9,16,23H,10-11H2,1H3,(H,22,24)
InChIKeyULBVBKDPLPOJCI-UHFFFAOYSA-N
XLogP3.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide (CID 51126499) is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)NCC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide?
The InChIKey is ULBVBKDPLPOJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-25-11-12-6-2-3-7-13(12)17(24)22-10-16(23)14-8-4-5-9-15(14)18(19,20)21/h2-9,16,23H,10-11H2,1H3,(H,22,24).
What are the key properties of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide?
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide has a molecular weight of 353.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 51126499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).