2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide

C14H12F6N2O2 — CID 7014768

IUPAC2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide
SMILESCC(C)N1C(=O)[C@](NC(=O)C(F)(F)F)(C(F)(F)F)c2ccccc21
InChIInChI=1S/C14H12F6N2O2/c1-7(2)22-9-6-4-3-5-8(9)12(11(22)24,14(18,19)20)21-10(23)13(15,16)17/h3-7H,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyKYVCBPOBAHLAPA-LBPRGKRZSA-N
MW354.25 g/mol
LogP2.88
Rot. Bonds2

About 2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide

2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide (PubChem CID 7014768) has the molecular formula C14H12F6N2O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide
PubChem CID7014768
Molecular FormulaC14H12F6N2O2
Molecular Weight354.25 g/mol
Exact Mass354.08
IUPAC Name2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide
SMILESCC(C)N1C(=O)[C@](NC(=O)C(F)(F)F)(C(F)(F)F)c2ccccc21
InChIInChI=1S/C14H12F6N2O2/c1-7(2)22-9-6-4-3-5-8(9)12(11(22)24,14(18,19)20)21-10(23)13(15,16)17/h3-7H,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyKYVCBPOBAHLAPA-LBPRGKRZSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide (CID 7014768) is 2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide is CC(C)N1C(=O)[C@](NC(=O)C(F)(F)F)(C(F)(F)F)c2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide?
The InChIKey is KYVCBPOBAHLAPA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12F6N2O2/c1-7(2)22-9-6-4-3-5-8(9)12(11(22)24,14(18,19)20)21-10(23)13(15,16)17/h3-7H,1-2H3,(H,21,23)/t12-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide?
2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide has a molecular weight of 354.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide is sourced from PubChem (CID 7014768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).