N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide

C19H20ClF3N2O2 — CID 162589205

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide
SMILESCN(C)CCOc1cccc(C(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20ClF3N2O2/c1-24(2)9-10-27-15-6-4-5-13(11-15)18(26)25(3)14-7-8-17(20)16(12-14)19(21,22)23/h4-8,11-12H,9-10H2,1-3H3
InChIKeyIRSPIFVJKUEKTG-UHFFFAOYSA-N
MW400.83 g/mol
LogP4.58
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide (PubChem CID 162589205) has the molecular formula C19H20ClF3N2O2 and a molecular weight of 400.83 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide
PubChem CID162589205
Molecular FormulaC19H20ClF3N2O2
Molecular Weight400.83 g/mol
Exact Mass400.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide
SMILESCN(C)CCOc1cccc(C(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20ClF3N2O2/c1-24(2)9-10-27-15-6-4-5-13(11-15)18(26)25(3)14-7-8-17(20)16(12-14)19(21,22)23/h4-8,11-12H,9-10H2,1-3H3
InChIKeyIRSPIFVJKUEKTG-UHFFFAOYSA-N
XLogP4.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)benzoyl chloride
CID 171512788
N-(3-aminophenyl)-N-methyl-3-propoxybenzamide
CID 62918808
3-(2,4-dichlorophenyl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]prop-2-en-1-one
CID 69216639
N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide
CID 129303779
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide
CID 53246219
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 161187250
4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)benzonitrile
CID 61102092
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide
CID 142711619
(NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine
CID 24701950
1-[3-[2-(dimethylamino)ethoxy]phenyl]-4,4-dimethylpent-1-yn-3-one
CID 58408613
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(dimethylamino)propoxy]-6-methylbenzamide
CID 129087176
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide (CID 162589205) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide is CN(C)CCOc1cccc(C(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide?
The InChIKey is IRSPIFVJKUEKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O2/c1-24(2)9-10-27-15-6-4-5-13(11-15)18(26)25(3)14-7-8-17(20)16(12-14)19(21,22)23/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide has a molecular weight of 400.83 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide is sourced from PubChem (CID 162589205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).