N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide

C19H19FN4O2 — CID 46968847

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2Cn2cncn2)cc1F
InChIInChI=1S/C19H19FN4O2/c1-13(14-7-8-18(26-2)17(20)9-14)23-19(25)16-6-4-3-5-15(16)10-24-12-21-11-22-24/h3-9,11-13H,10H2,1-2H3,(H,23,25)
InChIKeyYOOVMQVGVMZENR-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.97
Rot. Bonds6

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 46968847) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID46968847
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2Cn2cncn2)cc1F
InChIInChI=1S/C19H19FN4O2/c1-13(14-7-8-18(26-2)17(20)9-14)23-19(25)16-6-4-3-5-15(16)10-24-12-21-11-22-24/h3-9,11-13H,10H2,1-2H3,(H,23,25)
InChIKeyYOOVMQVGVMZENR-UHFFFAOYSA-N
XLogP2.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)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-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (CID 46968847) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is COc1ccc(C(C)NC(=O)c2ccccc2Cn2cncn2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is YOOVMQVGVMZENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-13(14-7-8-18(26-2)17(20)9-14)23-19(25)16-6-4-3-5-15(16)10-24-12-21-11-22-24/h3-9,11-13H,10H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 354.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46968847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).