N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide

C18H17F3N2O3 — CID 47064047

IUPACN-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide
SMILESCNC(=O)COc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-22-16(24)11-26-13-8-6-12(7-9-13)10-23-17(25)14-4-2-3-5-15(14)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyLUPGJZYJXHGUMV-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.76
Rot. Bonds6

About N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide

N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 47064047) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID47064047
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide
SMILESCNC(=O)COc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-22-16(24)11-26-13-8-6-12(7-9-13)10-23-17(25)14-4-2-3-5-15(14)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyLUPGJZYJXHGUMV-UHFFFAOYSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 33284711
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56798194
N-[(4-methoxyphenyl)methyl]-2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 38113686
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide
CID 51121667
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 143180145
2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293453
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55327835
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid
CID 45384591
N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 90536100

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide (CID 47064047) is N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide is CNC(=O)COc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is LUPGJZYJXHGUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-22-16(24)11-26-13-8-6-12(7-9-13)10-23-17(25)14-4-2-3-5-15(14)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide?
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 366.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 47064047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).