[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C19H14ClF3N2O3 — CID 4853997

IUPAC[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C19H14ClF3N2O3/c20-12-5-6-16(14(8-12)19(21,22)23)25-17(26)10-28-18(27)7-11-9-24-15-4-2-1-3-13(11)15/h1-6,8-9,24H,7,10H2,(H,25,26)
InChIKeyXDFYBLRKLTXEGK-UHFFFAOYSA-N
MW410.78 g/mol
LogP4.56
Rot. Bonds5

About [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 4853997) has the molecular formula C19H14ClF3N2O3 and a molecular weight of 410.78 g/mol. Its IUPAC name is [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID4853997
Molecular FormulaC19H14ClF3N2O3
Molecular Weight410.78 g/mol
Exact Mass410.06
IUPAC Name[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C19H14ClF3N2O3/c20-12-5-6-16(14(8-12)19(21,22)23)25-17(26)10-28-18(27)7-11-9-24-15-4-2-1-3-13(11)15/h1-6,8-9,24H,7,10H2,(H,25,26)
InChIKeyXDFYBLRKLTXEGK-UHFFFAOYSA-N
XLogP4.56
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.78
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 113098868
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 9017658
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 46789606
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 4802171
[(1S)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[2-(1H-indol-3-yl)ethyl]azanium
CID 2534806
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2397372
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2435620
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8850644
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 41463972
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-phenylprop-2-enoate
CID 4854506
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960361

Frequently Asked Questions

What is the IUPAC name of [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 4853997) is [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is XDFYBLRKLTXEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O3/c20-12-5-6-16(14(8-12)19(21,22)23)25-17(26)10-28-18(27)7-11-9-24-15-4-2-1-3-13(11)15/h1-6,8-9,24H,7,10H2,(H,25,26).
What are the key properties of [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 410.78 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 4853997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).