1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole

C17H14ClFN4 — CID 155533892

IUPAC1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole
SMILESFc1ccc2c(c1)CCN2Cc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H14ClFN4/c18-13-1-4-16(5-2-13)23-11-15(20-21-23)10-22-8-7-12-9-14(19)3-6-17(12)22/h1-6,9,11H,7-8,10H2
InChIKeyXJBCVZWHIFREBB-UHFFFAOYSA-N
MW328.78 g/mol
LogP3.62
Rot. Bonds3

About 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole

1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole (PubChem CID 155533892) has the molecular formula C17H14ClFN4 and a molecular weight of 328.78 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole
PubChem CID155533892
Molecular FormulaC17H14ClFN4
Molecular Weight328.78 g/mol
Exact Mass328.09
IUPAC Name1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole
SMILESFc1ccc2c(c1)CCN2Cc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H14ClFN4/c18-13-1-4-16(5-2-13)23-11-15(20-21-23)10-22-8-7-12-9-14(19)3-6-17(12)22/h1-6,9,11H,7-8,10H2
InChIKeyXJBCVZWHIFREBB-UHFFFAOYSA-N
XLogP3.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole?
The IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole (CID 155533892) is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole is Fc1ccc2c(c1)CCN2Cc1cn(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole?
The InChIKey is XJBCVZWHIFREBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4/c18-13-1-4-16(5-2-13)23-11-15(20-21-23)10-22-8-7-12-9-14(19)3-6-17(12)22/h1-6,9,11H,7-8,10H2.
What are the key properties of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole?
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole has a molecular weight of 328.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-5-fluoro-2,3-dihydroindole is sourced from PubChem (CID 155533892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).