N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide

C20H22F3N3O2 — CID 54834141

IUPACN,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3N3O2/c1-3-26(4-2)19(28)14-8-10-16(11-9-14)24-13-18(27)25-17-7-5-6-15(12-17)20(21,22)23/h5-12,24H,3-4,13H2,1-2H3,(H,25,27)
InChIKeyRDMBMNHJDZEAFI-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.24
Rot. Bonds7

About N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide

N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide (PubChem CID 54834141) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide
PubChem CID54834141
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3N3O2/c1-3-26(4-2)19(28)14-8-10-16(11-9-14)24-13-18(27)25-17-7-5-6-15(12-17)20(21,22)23/h5-12,24H,3-4,13H2,1-2H3,(H,25,27)
InChIKeyRDMBMNHJDZEAFI-UHFFFAOYSA-N
XLogP4.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838383
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451
N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571798
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54833883
N-[4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840317
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide (CID 54834141) is N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide?
The InChIKey is RDMBMNHJDZEAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-3-26(4-2)19(28)14-8-10-16(11-9-14)24-13-18(27)25-17-7-5-6-15(12-17)20(21,22)23/h5-12,24H,3-4,13H2,1-2H3,(H,25,27).
What are the key properties of N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide?
N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide has a molecular weight of 393.41 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54834141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).