N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide

C21H21ClF3N3O4 — CID 33086234

IUPACN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide
SMILESCN(C)C(=O)COc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H21ClF3N3O4/c1-27(2)19(30)12-32-17-7-5-4-6-14(17)20(31)28(3)11-18(29)26-13-8-9-16(22)15(10-13)21(23,24)25/h4-10H,11-12H2,1-3H3,(H,26,29)
InChIKeyDMXOLEXKZLWSQD-UHFFFAOYSA-N
MW471.86 g/mol
LogP3.54
Rot. Bonds7

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide (PubChem CID 33086234) has the molecular formula C21H21ClF3N3O4 and a molecular weight of 471.86 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide
PubChem CID33086234
Molecular FormulaC21H21ClF3N3O4
Molecular Weight471.86 g/mol
Exact Mass471.12
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide
SMILESCN(C)C(=O)COc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H21ClF3N3O4/c1-27(2)19(30)12-32-17-7-5-4-6-14(17)20(31)28(3)11-18(29)26-13-8-9-16(22)15(10-13)21(23,24)25/h4-10H,11-12H2,1-3H3,(H,26,29)
InChIKeyDMXOLEXKZLWSQD-UHFFFAOYSA-N
XLogP3.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-(difluoromethoxy)-N-methylbenzamide
CID 16546518
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide
CID 55383063
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[2-(3,4-dimethylphenoxy)acetyl]-methylamino]acetamide
CID 18280045
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 55413073
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 26620158
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55605846
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 9144063
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-2-propan-2-ylquinoline-4-carboxamide
CID 16563136
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-benzofuran-2-carboxamide
CID 7936674
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethoxy)benzamide
CID 42924031

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide (CID 33086234) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide is CN(C)C(=O)COc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide?
The InChIKey is DMXOLEXKZLWSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N3O4/c1-27(2)19(30)12-32-17-7-5-4-6-14(17)20(31)28(3)11-18(29)26-13-8-9-16(22)15(10-13)21(23,24)25/h4-10H,11-12H2,1-3H3,(H,26,29).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide?
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide has a molecular weight of 471.86 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide is sourced from PubChem (CID 33086234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).