N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide

C21H26F3N3O — CID 56539922

IUPACN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H26F3N3O/c1-15(2)27(3)14-17-8-5-4-7-16(17)12-26-20(28)13-25-19-10-6-9-18(11-19)21(22,23)24/h4-11,15,25H,12-14H2,1-3H3,(H,26,28)
InChIKeyOIFKOYSDKBPMPY-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.27
Rot. Bonds8

About N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56539922) has the molecular formula C21H26F3N3O and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56539922
Molecular FormulaC21H26F3N3O
Molecular Weight393.45 g/mol
Exact Mass393.20
IUPAC NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H26F3N3O/c1-15(2)27(3)14-17-8-5-4-7-16(17)12-26-20(28)13-25-19-10-6-9-18(11-19)21(22,23)24/h4-11,15,25H,12-14H2,1-3H3,(H,26,28)
InChIKeyOIFKOYSDKBPMPY-UHFFFAOYSA-N
XLogP4.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546361
N-[[2-(difluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56538640
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553142
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844505
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540517
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56538872
N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552750
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546257
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 46455853
N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540445

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56539922) is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide is CC(C)N(C)Cc1ccccc1CNC(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is OIFKOYSDKBPMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O/c1-15(2)27(3)14-17-8-5-4-7-16(17)12-26-20(28)13-25-19-10-6-9-18(11-19)21(22,23)24/h4-11,15,25H,12-14H2,1-3H3,(H,26,28).
What are the key properties of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 393.45 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56539922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).