N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide

C20H23F3N4O2 — CID 56553142

IUPACN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H23F3N4O2/c1-27(2)13-19(29)26-17-8-3-5-14(9-17)11-25-18(28)12-24-16-7-4-6-15(10-16)20(21,22)23/h3-10,24H,11-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQKNLIRBCECQGHK-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.93
Rot. Bonds8

About N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56553142) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56553142
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC NameN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H23F3N4O2/c1-27(2)13-19(29)26-17-8-3-5-14(9-17)11-25-18(28)12-24-16-7-4-6-15(10-16)20(21,22)23/h3-10,24H,11-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQKNLIRBCECQGHK-UHFFFAOYSA-N
XLogP2.93
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540336
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546257
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 86883417
N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56551338
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide
CID 54834141
2-(dimethylamino)-N-[3-[[[ethylamino-[[4-(trifluoromethyl)phenyl]methylamino]methylidene]amino]methyl]phenyl]acetamide
CID 111420341
N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837317
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56539922
N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 108996969
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56553142) is N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide is CN(C)CC(=O)Nc1cccc(CNC(=O)CNc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is QKNLIRBCECQGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-27(2)13-19(29)26-17-8-3-5-14(9-17)11-25-18(28)12-24-16-7-4-6-15(10-16)20(21,22)23/h3-10,24H,11-13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 408.42 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56553142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).