2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide

C22H27F3N2O2 — CID 154678647

IUPAC2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1cccc(CCCN(C)C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C22H27F3N2O2/c1-5-29-19-10-6-8-16(9-7-13-27(3)4)20(19)21(28)26-17-12-11-15(2)18(14-17)22(23,24)25/h6,8,10-12,14H,5,7,9,13H2,1-4H3,(H,26,28)
InChIKeyGSCWGYPABDTLFT-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.16
Rot. Bonds8

About 2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide

2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 154678647) has the molecular formula C22H27F3N2O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
PubChem CID154678647
Molecular FormulaC22H27F3N2O2
Molecular Weight408.46 g/mol
Exact Mass408.20
IUPAC Name2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1cccc(CCCN(C)C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C22H27F3N2O2/c1-5-29-19-10-6-8-16(9-7-13-27(3)4)20(19)21(28)26-17-12-11-15(2)18(14-17)22(23,24)25/h6,8,10-12,14H,5,7,9,13H2,1-4H3,(H,26,28)
InChIKeyGSCWGYPABDTLFT-UHFFFAOYSA-N
XLogP5.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-(5-hydroxypentyl)benzamide
CID 162535335
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(dimethylamino)propoxy]-6-methylbenzamide
CID 129087176
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 161187250
2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-phenylbenzamide;methane
CID 157397638
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-ethoxy-6-hydroxybenzamide
CID 162535336
2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 164971040
2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 161172788
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide
CID 53246219
2-(4-ethoxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 24583920
N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide
CID 157101806
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide (CID 154678647) is 2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide is CCOc1cccc(CCCN(C)C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GSCWGYPABDTLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O2/c1-5-29-19-10-6-8-16(9-7-13-27(3)4)20(19)21(28)26-17-12-11-15(2)18(14-17)22(23,24)25/h6,8,10-12,14H,5,7,9,13H2,1-4H3,(H,26,28).
What are the key properties of 2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 154678647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).