3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide

C19H17F4N3O2 — CID 118497776

IUPAC3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide
SMILESCC(NC(=O)CCc1c[nH]c2cc(F)ccc12)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C19H17F4N3O2/c1-11(16-6-4-14(10-25-16)28-19(21,22)23)26-18(27)7-2-12-9-24-17-8-13(20)3-5-15(12)17/h3-6,8-11,24H,2,7H2,1H3,(H,26,27)
InChIKeyDNNCPJBWBFSHNP-UHFFFAOYSA-N
MW395.36 g/mol
LogP4.41
Rot. Bonds6

About 3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide

3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide (PubChem CID 118497776) has the molecular formula C19H17F4N3O2 and a molecular weight of 395.36 g/mol. Its IUPAC name is 3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide
PubChem CID118497776
Molecular FormulaC19H17F4N3O2
Molecular Weight395.36 g/mol
Exact Mass395.13
IUPAC Name3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide
SMILESCC(NC(=O)CCc1c[nH]c2cc(F)ccc12)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C19H17F4N3O2/c1-11(16-6-4-14(10-25-16)28-19(21,22)23)26-18(27)7-2-12-9-24-17-8-13(20)3-5-15(12)17/h3-6,8-11,24H,2,7H2,1H3,(H,26,27)
InChIKeyDNNCPJBWBFSHNP-UHFFFAOYSA-N
XLogP4.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-3-(5-fluoro-1H-indol-3-yl)propanamide
CID 67290896
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610391
4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
CID 67290823
2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 74819881
2-(3-cyano-1H-indol-6-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610330
2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
CID 113209373
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-[2-(trifluoromethoxy)phenoxy]acetamide
CID 67290555
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
CID 87342477
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide
CID 87342000
ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 172548012

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide?
The IUPAC name of 3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide (CID 118497776) is 3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide.
What is the SMILES notation for 3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide?
The canonical SMILES for 3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide is CC(NC(=O)CCc1c[nH]c2cc(F)ccc12)c1ccc(OC(F)(F)F)cn1.
What is the InChIKey of 3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide?
The InChIKey is DNNCPJBWBFSHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O2/c1-11(16-6-4-14(10-25-16)28-19(21,22)23)26-18(27)7-2-12-9-24-17-8-13(20)3-5-15(12)17/h3-6,8-11,24H,2,7H2,1H3,(H,26,27).
What are the key properties of 3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide?
3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide has a molecular weight of 395.36 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide is sourced from PubChem (CID 118497776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).