N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide

C18H18FN5O — CID 50962609

IUPACN-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide
SMILESO=C(CNCc1ccccc1-n1cncn1)NCc1ccccc1F
InChIInChI=1S/C18H18FN5O/c19-16-7-3-1-5-14(16)10-22-18(25)11-20-9-15-6-2-4-8-17(15)24-13-21-12-23-24/h1-8,12-13,20H,9-11H2,(H,22,25)
InChIKeyNPMBESNYVAHWCD-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.81
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide

N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide (PubChem CID 50962609) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide
PubChem CID50962609
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide
SMILESO=C(CNCc1ccccc1-n1cncn1)NCc1ccccc1F
InChIInChI=1S/C18H18FN5O/c19-16-7-3-1-5-14(16)10-22-18(25)11-20-9-15-6-2-4-8-17(15)24-13-21-12-23-24/h1-8,12-13,20H,9-11H2,(H,22,25)
InChIKeyNPMBESNYVAHWCD-UHFFFAOYSA-N
XLogP1.81
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide (CID 50962609) is N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide is O=C(CNCc1ccccc1-n1cncn1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide?
The InChIKey is NPMBESNYVAHWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-16-7-3-1-5-14(16)10-22-18(25)11-20-9-15-6-2-4-8-17(15)24-13-21-12-23-24/h1-8,12-13,20H,9-11H2,(H,22,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide?
N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide has a molecular weight of 339.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]acetamide is sourced from PubChem (CID 50962609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).