2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide

C16H11ClF3N3O — CID 2767240

IUPAC2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide
SMILESNC(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12
InChIInChI=1S/C16H11ClF3N3O/c17-12-6-10(16(18,19)20)7-22-15(12)23-8-9(5-14(21)24)11-3-1-2-4-13(11)23/h1-4,6-8H,5H2,(H2,21,24)
InChIKeyPSNNYIKHZIXXSV-UHFFFAOYSA-N
MW353.73 g/mol
LogP3.73
Rot. Bonds3

About 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide

2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide (PubChem CID 2767240) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide
PubChem CID2767240
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide
SMILESNC(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12
InChIInChI=1S/C16H11ClF3N3O/c17-12-6-10(16(18,19)20)7-22-15(12)23-8-9(5-14(21)24)11-3-1-2-4-13(11)23/h1-4,6-8H,5H2,(H2,21,24)
InChIKeyPSNNYIKHZIXXSV-UHFFFAOYSA-N
XLogP3.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide?
The IUPAC name of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide (CID 2767240) is 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide.
What is the SMILES notation for 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide?
The canonical SMILES for 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide is NC(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12.
What is the InChIKey of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide?
The InChIKey is PSNNYIKHZIXXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c17-12-6-10(16(18,19)20)7-22-15(12)23-8-9(5-14(21)24)11-3-1-2-4-13(11)23/h1-4,6-8H,5H2,(H2,21,24).
What are the key properties of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide?
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide has a molecular weight of 353.73 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetamide is sourced from PubChem (CID 2767240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).