N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide

C19H15FN6O — CID 6885090

IUPACN-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(/C=N/n2cnnc2)c2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C19H15FN6O/c20-15-5-7-16(8-6-15)24-19(27)11-25-10-14(9-23-26-12-21-22-13-26)17-3-1-2-4-18(17)25/h1-10,12-13H,11H2,(H,24,27)/b23-9+
InChIKeyMRGSRDNZNGJPTL-NUGSKGIGSA-N
MW362.37 g/mol
LogP2.89
Rot. Bonds5

About N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide

N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide (PubChem CID 6885090) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide
PubChem CID6885090
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC NameN-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(/C=N/n2cnnc2)c2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C19H15FN6O/c20-15-5-7-16(8-6-15)24-19(27)11-25-10-14(9-23-26-12-21-22-13-26)17-3-1-2-4-18(17)25/h1-10,12-13H,11H2,(H,24,27)/b23-9+
InChIKeyMRGSRDNZNGJPTL-NUGSKGIGSA-N
XLogP2.89
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide (CID 6885090) is N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide is O=C(Cn1cc(/C=N/n2cnnc2)c2ccccc21)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide?
The InChIKey is MRGSRDNZNGJPTL-NUGSKGIGSA-N. The full InChI is InChI=1S/C19H15FN6O/c20-15-5-7-16(8-6-15)24-19(27)11-25-10-14(9-23-26-12-21-22-13-26)17-3-1-2-4-18(17)25/h1-10,12-13H,11H2,(H,24,27)/b23-9+.
What are the key properties of N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide?
N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide has a molecular weight of 362.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide is sourced from PubChem (CID 6885090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).