N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide

C21H25F3N2O2 — CID 71278074

IUPACN-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide
SMILESCCOCCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C21H25F3N2O2/c1-5-28-11-10-26(4)19-9-8-17(21(22,23)24)13-18(19)25-20(27)16-7-6-14(2)15(3)12-16/h6-9,12-13H,5,10-11H2,1-4H3,(H,25,27)
InChIKeyMSPJLICNJZMJAH-UHFFFAOYSA-N
MW394.44 g/mol
LogP5.05
Rot. Bonds7

About N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide

N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide (PubChem CID 71278074) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide
PubChem CID71278074
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide
SMILESCCOCCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C21H25F3N2O2/c1-5-28-11-10-26(4)19-9-8-17(21(22,23)24)13-18(19)25-20(27)16-7-6-14(2)15(3)12-16/h6-9,12-13H,5,10-11H2,1-4H3,(H,25,27)
InChIKeyMSPJLICNJZMJAH-UHFFFAOYSA-N
XLogP5.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(Z)-2-amino-2-(1,5-dimethylpyrazol-4-yl)ethenyl]-(methylamino)amino]-N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 154471034
ethane;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline
CID 143095395
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 71881491
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149648
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 51152139
3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66477560
N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide (CID 71278074) is N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide is CCOCCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide?
The InChIKey is MSPJLICNJZMJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O2/c1-5-28-11-10-26(4)19-9-8-17(21(22,23)24)13-18(19)25-20(27)16-7-6-14(2)15(3)12-16/h6-9,12-13H,5,10-11H2,1-4H3,(H,25,27).
What are the key properties of N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide?
N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide has a molecular weight of 394.44 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-ethoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 71278074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).