[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate

C18H21F3N2O4 — CID 7807697

IUPAC[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H21F3N2O4/c19-18(20,21)13-8-4-5-9-14(13)23-15(24)11-27-16(25)10-22-17(26)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,22,26)(H,23,24)
InChIKeyDNLAHEOTXPDIAF-UHFFFAOYSA-N
MW386.37 g/mol
LogP2.88
Rot. Bonds6

About [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 7807697) has the molecular formula C18H21F3N2O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID7807697
Molecular FormulaC18H21F3N2O4
Molecular Weight386.37 g/mol
Exact Mass386.15
IUPAC Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H21F3N2O4/c19-18(20,21)13-8-4-5-9-14(13)23-15(24)11-27-16(25)10-22-17(26)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,22,26)(H,23,24)
InChIKeyDNLAHEOTXPDIAF-UHFFFAOYSA-N
XLogP2.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-nitroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807700
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7949056
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807689
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2098588
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547405
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547340
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547362
2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005582
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547241
N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997525
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-methylcyclopropane-1-carboxylate
CID 3515684

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate (CID 7807697) is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is DNLAHEOTXPDIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O4/c19-18(20,21)13-8-4-5-9-14(13)23-15(24)11-27-16(25)10-22-17(26)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,22,26)(H,23,24).
What are the key properties of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 386.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 7807697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).