N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide

C20H21ClF3N3O3 — CID 32540434

IUPACN-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide
SMILESCN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C20H21ClF3N3O3/c1-26(11-14-7-3-6-10-17(14)30-20(22,23)24)13-19(29)27(2)12-18(28)25-16-9-5-4-8-15(16)21/h3-10H,11-13H2,1-2H3,(H,25,28)
InChIKeyDXOBVRBBZMSEJT-UHFFFAOYSA-N
MW443.85 g/mol
LogP3.77
Rot. Bonds8

About N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide

N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide (PubChem CID 32540434) has the molecular formula C20H21ClF3N3O3 and a molecular weight of 443.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide
PubChem CID32540434
Molecular FormulaC20H21ClF3N3O3
Molecular Weight443.85 g/mol
Exact Mass443.12
IUPAC NameN-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide
SMILESCN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C20H21ClF3N3O3/c1-26(11-14-7-3-6-10-17(14)30-20(22,23)24)13-19(29)27(2)12-18(28)25-16-9-5-4-8-15(16)21/h3-10H,11-13H2,1-2H3,(H,25,28)
InChIKeyDXOBVRBBZMSEJT-UHFFFAOYSA-N
XLogP3.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.85
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide with MolForge

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55789087
N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 27095557
N-(2-chlorophenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 25479489
N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide
CID 27096760
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 78845785
N-(2-chlorophenyl)-2-[[2-(2-fluorophenoxy)acetyl]-methylamino]acetamide
CID 7434026
2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 17491744
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 34115631
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
N-(2-chlorophenyl)-2-[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 7571615
N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide
CID 24665074

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide (CID 32540434) is N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide is CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide?
The InChIKey is DXOBVRBBZMSEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O3/c1-26(11-14-7-3-6-10-17(14)30-20(22,23)24)13-19(29)27(2)12-18(28)25-16-9-5-4-8-15(16)21/h3-10H,11-13H2,1-2H3,(H,25,28).
What are the key properties of N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide?
N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide has a molecular weight of 443.85 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 32540434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).