1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide

C20H18FN5O — CID 4874239

IUPAC1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2c[nH]c3ccccc23)nnn1-c1ccc(F)cc1
InChIInChI=1S/C20H18FN5O/c1-13-19(24-25-26(13)16-8-6-15(21)7-9-16)20(27)22-11-10-14-12-23-18-5-3-2-4-17(14)18/h2-9,12,23H,10-11H2,1H3,(H,22,27)
InChIKeyOMRCTXYRYARUEJ-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.17
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide

1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide (PubChem CID 4874239) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide
PubChem CID4874239
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2c[nH]c3ccccc23)nnn1-c1ccc(F)cc1
InChIInChI=1S/C20H18FN5O/c1-13-19(24-25-26(13)16-8-6-15(21)7-9-16)20(27)22-11-10-14-12-23-18-5-3-2-4-17(14)18/h2-9,12,23H,10-11H2,1H3,(H,22,27)
InChIKeyOMRCTXYRYARUEJ-UHFFFAOYSA-N
XLogP3.17
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 49408095
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N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 126792948
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
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CID 91955063
1-(4-fluorophenyl)-5-methyl-N-[3-(2-phenylethoxy)propyl]triazole-4-carboxamide
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N-[2-(benzenesulfonamido)ethyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 78856391
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
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CID 109000531
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CID 175363337
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CID 110853427

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide (CID 4874239) is 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide is Cc1c(C(=O)NCCc2c[nH]c3ccccc23)nnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide?
The InChIKey is OMRCTXYRYARUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-13-19(24-25-26(13)16-8-6-15(21)7-9-16)20(27)22-11-10-14-12-23-18-5-3-2-4-17(14)18/h2-9,12,23H,10-11H2,1H3,(H,22,27).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide?
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 4874239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).