ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate

C24H22F3N3O3 — CID 60542528

IUPACethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1
InChIInChI=1S/C24H22F3N3O3/c1-2-33-23(32)30-19-13-11-18(12-14-19)28-21(16-7-4-3-5-8-16)22(31)29-20-10-6-9-17(15-20)24(25,26)27/h3-15,21,28H,2H2,1H3,(H,29,31)(H,30,32)
InChIKeyROESPHFHCSHQGY-UHFFFAOYSA-N
MW457.45 g/mol
LogP6.07
Rot. Bonds7

About ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate

ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate (PubChem CID 60542528) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate
PubChem CID60542528
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC Nameethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1
InChIInChI=1S/C24H22F3N3O3/c1-2-33-23(32)30-19-13-11-18(12-14-19)28-21(16-7-4-3-5-8-16)22(31)29-20-10-6-9-17(15-20)24(25,26)27/h3-15,21,28H,2H2,1H3,(H,29,31)(H,30,32)
InChIKeyROESPHFHCSHQGY-UHFFFAOYSA-N
XLogP6.07
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.45
LogP ≤ 56.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 55598567
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 40794821
2-[2-(dimethylamino)ethylamino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4881044
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate
CID 4013738
2-anilino-2-[3-(trifluoromethyl)phenyl]acetamide
CID 61005725
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023
[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2,2-dimethylpropanoylamino)propanoate
CID 24631108

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate (CID 60542528) is ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1.
What is the InChIKey of ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate?
The InChIKey is ROESPHFHCSHQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3/c1-2-33-23(32)30-19-13-11-18(12-14-19)28-21(16-7-4-3-5-8-16)22(31)29-20-10-6-9-17(15-20)24(25,26)27/h3-15,21,28H,2H2,1H3,(H,29,31)(H,30,32).
What are the key properties of ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate?
ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate has a molecular weight of 457.45 g/mol, XLogP of 6.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate is sourced from PubChem (CID 60542528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).