N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide

C22H26F3N3O2 — CID 91060611

IUPACN-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide
SMILESCCN(CC)CC(=O)Nc1c(C)ccc(NC(=O)c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C22H26F3N3O2/c1-5-28(6-2)13-19(29)27-20-14(3)10-11-18(15(20)4)26-21(30)16-8-7-9-17(12-16)22(23,24)25/h7-12H,5-6,13H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyDAAQCRFHQHZRSB-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.85
Rot. Bonds7

About N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide

N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 91060611) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID91060611
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC NameN-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide
SMILESCCN(CC)CC(=O)Nc1c(C)ccc(NC(=O)c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C22H26F3N3O2/c1-5-28(6-2)13-19(29)27-20-14(3)10-11-18(15(20)4)26-21(30)16-8-7-9-17(12-16)22(23,24)25/h7-12H,5-6,13H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyDAAQCRFHQHZRSB-UHFFFAOYSA-N
XLogP4.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide
CID 67352086
CID 89442401
CID 89442401
2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide
CID 91070508
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide
CID 143018137
2-(diethylamino)-N-[2,6-dimethyl-3-(1-phenylethylcarbamoylamino)phenyl]acetamide
CID 91128420
3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66477560
N-[2-[[2-(diethylamino)acetyl]amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
CID 15991575
ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56632233
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 46542208

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide (CID 91060611) is N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide is CCN(CC)CC(=O)Nc1c(C)ccc(NC(=O)c2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is DAAQCRFHQHZRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-5-28(6-2)13-19(29)27-20-14(3)10-11-18(15(20)4)26-21(30)16-8-7-9-17(12-16)22(23,24)25/h7-12H,5-6,13H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 421.46 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 91060611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).