N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide

C20H19FN4O3 — CID 60573846

IUPACN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccccc1OCC1CCCO1
InChIInChI=1S/C20H19FN4O3/c21-17-10-14(7-8-18(17)25-13-22-12-23-25)24-20(26)16-5-1-2-6-19(16)28-11-15-4-3-9-27-15/h1-2,5-8,10,12-13,15H,3-4,9,11H2,(H,24,26)
InChIKeyQWFGJAKEQWPMDY-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.22
Rot. Bonds6

About N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide (PubChem CID 60573846) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
PubChem CID60573846
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccccc1OCC1CCCO1
InChIInChI=1S/C20H19FN4O3/c21-17-10-14(7-8-18(17)25-13-22-12-23-25)24-20(26)16-5-1-2-6-19(16)28-11-15-4-3-9-27-15/h1-2,5-8,10,12-13,15H,3-4,9,11H2,(H,24,26)
InChIKeyQWFGJAKEQWPMDY-UHFFFAOYSA-N
XLogP3.22
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide (CID 60573846) is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccccc1OCC1CCCO1.
What is the InChIKey of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is QWFGJAKEQWPMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-17-10-14(7-8-18(17)25-13-22-12-23-25)24-20(26)16-5-1-2-6-19(16)28-11-15-4-3-9-27-15/h1-2,5-8,10,12-13,15H,3-4,9,11H2,(H,24,26).
What are the key properties of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide?
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 382.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 60573846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).