2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide

C19H17ClF3N3O2 — CID 74819881

IUPAC2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc2c(Cl)c[nH]c2c1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H17ClF3N3O2/c1-11(16-5-3-13(8-24-16)28-10-19(21,22)23)26-18(27)7-12-2-4-14-15(20)9-25-17(14)6-12/h2-6,8-9,11,25H,7,10H2,1H3,(H,26,27)
InChIKeyIDDGRNQRCLSRTA-UHFFFAOYSA-N
MW411.81 g/mol
LogP4.58
Rot. Bonds6

About 2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide

2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide (PubChem CID 74819881) has the molecular formula C19H17ClF3N3O2 and a molecular weight of 411.81 g/mol. Its IUPAC name is 2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
PubChem CID74819881
Molecular FormulaC19H17ClF3N3O2
Molecular Weight411.81 g/mol
Exact Mass411.10
IUPAC Name2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc2c(Cl)c[nH]c2c1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H17ClF3N3O2/c1-11(16-5-3-13(8-24-16)28-10-19(21,22)23)26-18(27)7-12-2-4-14-15(20)9-25-17(14)6-12/h2-6,8-9,11,25H,7,10H2,1H3,(H,26,27)
InChIKeyIDDGRNQRCLSRTA-UHFFFAOYSA-N
XLogP4.58
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.81
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyano-1H-indol-6-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610330
2-(6-chloro-5-fluoro-3-pyridinyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 162543824
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide
CID 87342000
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 70311806
4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
CID 67290823
2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 74819774
3-(4-chlorophenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propanamide
CID 67290991
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 87341437
(E)-3-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-2-enamide
CID 67290430
2-(4-isoquinolin-4-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610201
2-(3,5-dimethylphenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290853

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of 2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide (CID 74819881) is 2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide is CC(NC(=O)Cc1ccc2c(Cl)c[nH]c2c1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The InChIKey is IDDGRNQRCLSRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2/c1-11(16-5-3-13(8-24-16)28-10-19(21,22)23)26-18(27)7-12-2-4-14-15(20)9-25-17(14)6-12/h2-6,8-9,11,25H,7,10H2,1H3,(H,26,27).
What are the key properties of 2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide has a molecular weight of 411.81 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 74819881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).