N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide

C24H22F3N3O2 — CID 54838383

IUPACN-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1
InChIInChI=1S/C24H22F3N3O2/c1-2-30(21-9-4-3-5-10-21)23(32)17-11-13-19(14-12-17)28-16-22(31)29-20-8-6-7-18(15-20)24(25,26)27/h3-15,28H,2,16H2,1H3,(H,29,31)
InChIKeyPMBOMRQFFBZVBU-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.42
Rot. Bonds7

About N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide

N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide (PubChem CID 54838383) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
PubChem CID54838383
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC NameN-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1
InChIInChI=1S/C24H22F3N3O2/c1-2-30(21-9-4-3-5-10-21)23(32)17-11-13-19(14-12-17)28-16-22(31)29-20-8-6-7-18(15-20)24(25,26)27/h3-15,28H,2,16H2,1H3,(H,29,31)
InChIKeyPMBOMRQFFBZVBU-UHFFFAOYSA-N
XLogP5.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54839033
N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide
CID 54834141
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54834536
4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838274
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate
CID 54812803

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide?
The IUPAC name of N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide (CID 54838383) is N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide is CCN(C(=O)c1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide?
The InChIKey is PMBOMRQFFBZVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-2-30(21-9-4-3-5-10-21)23(32)17-11-13-19(14-12-17)28-16-22(31)29-20-8-6-7-18(15-20)24(25,26)27/h3-15,28H,2,16H2,1H3,(H,29,31).
What are the key properties of N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide?
N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide has a molecular weight of 441.45 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54838383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).