2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

C19H17ClF3N3O2 — CID 3750569

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)Cc3ncc(C(F)(F)F)cc3Cl)c2c1
InChIInChI=1S/C19H17ClF3N3O2/c1-28-13-2-3-16-14(7-13)11(9-25-16)4-5-24-18(27)8-17-15(20)6-12(10-26-17)19(21,22)23/h2-3,6-7,9-10,25H,4-5,8H2,1H3,(H,24,27)
InChIKeyZAAGHIORZGLPRN-UHFFFAOYSA-N
MW411.81 g/mol
LogP4.15
Rot. Bonds6

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

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 3750569) has the molecular formula C19H17ClF3N3O2 and a molecular weight of 411.81 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID3750569
Molecular FormulaC19H17ClF3N3O2
Molecular Weight411.81 g/mol
Exact Mass411.10
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)Cc3ncc(C(F)(F)F)cc3Cl)c2c1
InChIInChI=1S/C19H17ClF3N3O2/c1-28-13-2-3-16-14(7-13)11(9-25-16)4-5-24-18(27)8-17-15(20)6-12(10-26-17)19(21,22)23/h2-3,6-7,9-10,25H,4-5,8H2,1H3,(H,24,27)
InChIKeyZAAGHIORZGLPRN-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide
CID 163644683
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 127255155
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 71826977
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 3750569) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]cc(CCNC(=O)Cc3ncc(C(F)(F)F)cc3Cl)c2c1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is ZAAGHIORZGLPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2/c1-28-13-2-3-16-14(7-13)11(9-25-16)4-5-24-18(27)8-17-15(20)6-12(10-26-17)19(21,22)23/h2-3,6-7,9-10,25H,4-5,8H2,1H3,(H,24,27).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 411.81 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 3750569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).