N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C22H17FN4O2 — CID 46971938

IUPACN-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccc(F)cc1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C22H17FN4O2/c23-18-9-11-19(12-10-18)29-21-4-2-1-3-20(21)26-22(28)17-7-5-16(6-8-17)13-27-15-24-14-25-27/h1-12,14-15H,13H2,(H,26,28)
InChIKeyNZSQZGXGHXUKCJ-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.51
Rot. Bonds6

About N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 46971938) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID46971938
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC NameN-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccc(F)cc1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C22H17FN4O2/c23-18-9-11-19(12-10-18)29-21-4-2-1-3-20(21)26-22(28)17-7-5-16(6-8-17)13-27-15-24-14-25-27/h1-12,14-15H,13H2,(H,26,28)
InChIKeyNZSQZGXGHXUKCJ-UHFFFAOYSA-N
XLogP4.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 46971938) is N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(Nc1ccccc1Oc1ccc(F)cc1)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is NZSQZGXGHXUKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-18-9-11-19(12-10-18)29-21-4-2-1-3-20(21)26-22(28)17-7-5-16(6-8-17)13-27-15-24-14-25-27/h1-12,14-15H,13H2,(H,26,28).
What are the key properties of N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 388.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46971938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).