N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide

C35H34ClF6N3O4 — CID 161187250

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.CN(C)CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H18ClF3N2O2.C17H16F3NO2/c1-24(2)9-10-26-16-6-4-3-5-13(16)17(25)23-12-7-8-15(19)14(11-12)18(20,21)22;1-3-23-15-7-5-4-6-13(15)16(22)21-12-9-8-11(2)14(10-12)17(18,19)20/h3-8,11H,9-10H2,1-2H3,(H,23,25);4-10H,3H2,1-2H3,(H,21,22)
InChIKeyUTFYVVJWRHSFAF-UHFFFAOYSA-N
MW710.12 g/mol
LogP9.22
Rot. Bonds10

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 161187250) has the molecular formula C35H34ClF6N3O4 and a molecular weight of 710.12 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
PubChem CID161187250
Molecular FormulaC35H34ClF6N3O4
Molecular Weight710.12 g/mol
Exact Mass709.21
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.CN(C)CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H18ClF3N2O2.C17H16F3NO2/c1-24(2)9-10-26-16-6-4-3-5-13(16)17(25)23-12-7-8-15(19)14(11-12)18(20,21)22;1-3-23-15-7-5-4-6-13(15)16(22)21-12-9-8-11(2)14(10-12)17(18,19)20/h3-8,11H,9-10H2,1-2H3,(H,23,25);4-10H,3H2,1-2H3,(H,21,22)
InChIKeyUTFYVVJWRHSFAF-UHFFFAOYSA-N
XLogP9.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.12
LogP ≤ 59.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(dimethylamino)propoxy]-6-methylbenzamide
CID 129087176
N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 163510336
4-chloro-N-[cyclobutylidene-[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(trifluoromethyl)aniline
CID 155072703
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide
CID 53246219
2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 154678647
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355384
N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 836677
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide
CID 67981550
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide
CID 33086234

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide (CID 161187250) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.CN(C)CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UTFYVVJWRHSFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O2.C17H16F3NO2/c1-24(2)9-10-26-16-6-4-3-5-13(16)17(25)23-12-7-8-15(19)14(11-12)18(20,21)22;1-3-23-15-7-5-4-6-13(15)16(22)21-12-9-8-11(2)14(10-12)17(18,19)20/h3-8,11H,9-10H2,1-2H3,(H,23,25);4-10H,3H2,1-2H3,(H,21,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 710.12 g/mol, XLogP of 9.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 161187250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).