N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide

C18H19F3N2O — CID 134794830

IUPACN-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(C)Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O/c1-13(24)22-16-9-7-14(8-10-16)11-23(2)12-15-5-3-4-6-17(15)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyHUJURWUXWCGZCJ-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.30
Rot. Bonds5

About N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide

N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide (PubChem CID 134794830) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide
PubChem CID134794830
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(C)Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O/c1-13(24)22-16-9-7-14(8-10-16)11-23(2)12-15-5-3-4-6-17(15)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyHUJURWUXWCGZCJ-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide (CID 134794830) is N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN(C)Cc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide?
The InChIKey is HUJURWUXWCGZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-13(24)22-16-9-7-14(8-10-16)11-23(2)12-15-5-3-4-6-17(15)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide?
N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide has a molecular weight of 336.36 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 134794830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).