N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide

C18H17FN4O2 — CID 147463204

IUPACN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1cnc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)n1
InChIInChI=1S/C18H17FN4O2/c1-23-12-21-17(22-23)18(24)20-10-13-6-8-15(9-7-13)25-11-14-4-2-3-5-16(14)19/h2-9,12H,10-11H2,1H3,(H,20,24)
InChIKeyFAHWXSDJRYJNJA-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.46
Rot. Bonds6

About N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide

N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 147463204) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide
PubChem CID147463204
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1cnc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)n1
InChIInChI=1S/C18H17FN4O2/c1-23-12-21-17(22-23)18(24)20-10-13-6-8-15(9-7-13)25-11-14-4-2-3-5-16(14)19/h2-9,12H,10-11H2,1H3,(H,20,24)
InChIKeyFAHWXSDJRYJNJA-UHFFFAOYSA-N
XLogP2.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide (CID 147463204) is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide is Cn1cnc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)n1.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is FAHWXSDJRYJNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-23-12-21-17(22-23)18(24)20-10-13-6-8-15(9-7-13)25-11-14-4-2-3-5-16(14)19/h2-9,12H,10-11H2,1H3,(H,20,24).
What are the key properties of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide?
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 147463204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).