(2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate

C20H18ClF3N2O4 — CID 17258688

IUPAC(2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate
SMILESO=C(COC(=O)CCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1ccccc1
InChIInChI=1S/C20H18ClF3N2O4/c21-15-10-9-13(20(22,23)24)11-16(15)26-17(27)7-4-8-19(29)30-12-18(28)25-14-5-2-1-3-6-14/h1-3,5-6,9-11H,4,7-8,12H2,(H,25,28)(H,26,27)
InChIKeyKUSWOPHPTBPVTA-UHFFFAOYSA-N
MW442.82 g/mol
LogP4.65
Rot. Bonds8

About (2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate

(2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate (PubChem CID 17258688) has the molecular formula C20H18ClF3N2O4 and a molecular weight of 442.82 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate
PubChem CID17258688
Molecular FormulaC20H18ClF3N2O4
Molecular Weight442.82 g/mol
Exact Mass442.09
IUPAC Name(2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate
SMILESO=C(COC(=O)CCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1ccccc1
InChIInChI=1S/C20H18ClF3N2O4/c21-15-10-9-13(20(22,23)24)11-16(15)26-17(27)7-4-8-19(29)30-12-18(28)25-14-5-2-1-3-6-14/h1-3,5-6,9-11H,4,7-8,12H2,(H,25,28)(H,26,27)
InChIKeyKUSWOPHPTBPVTA-UHFFFAOYSA-N
XLogP4.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.82
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate
CID 17257992
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 7841537
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777191
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate
CID 2902130
2-(benzylideneamino)oxy-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2336634
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7698344
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822825
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 29318947
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2631675
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036553

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate?
The IUPAC name of (2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate (CID 17258688) is (2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate is O=C(COC(=O)CCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate?
The InChIKey is KUSWOPHPTBPVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N2O4/c21-15-10-9-13(20(22,23)24)11-16(15)26-17(27)7-4-8-19(29)30-12-18(28)25-14-5-2-1-3-6-14/h1-3,5-6,9-11H,4,7-8,12H2,(H,25,28)(H,26,27).
What are the key properties of (2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate?
(2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate has a molecular weight of 442.82 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate is sourced from PubChem (CID 17258688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).