3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide

C19H16FN5O — CID 52575139

IUPAC3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)Nc1ncn[nH]1
InChIInChI=1S/C19H16FN5O/c20-13-6-8-16-15(10-13)14(18(23-16)12-4-2-1-3-5-12)7-9-17(26)24-19-21-11-22-25-19/h1-6,8,10-11,23H,7,9H2,(H2,21,22,24,25,26)
InChIKeyZMPJTEYIOXFJKM-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.66
Rot. Bonds5

About 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide

3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 52575139) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID52575139
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)Nc1ncn[nH]1
InChIInChI=1S/C19H16FN5O/c20-13-6-8-16-15(10-13)14(18(23-16)12-4-2-1-3-5-12)7-9-17(26)24-19-21-11-22-25-19/h1-6,8,10-11,23H,7,9H2,(H2,21,22,24,25,26)
InChIKeyZMPJTEYIOXFJKM-UHFFFAOYSA-N
XLogP3.66
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 52575139) is 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)Nc1ncn[nH]1.
What is the InChIKey of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is ZMPJTEYIOXFJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-13-6-8-16-15(10-13)14(18(23-16)12-4-2-1-3-5-12)7-9-17(26)24-19-21-11-22-25-19/h1-6,8,10-11,23H,7,9H2,(H2,21,22,24,25,26).
What are the key properties of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 349.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 52575139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).