N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide

C18H17FN4O4 — CID 51118380

IUPACN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C18H17FN4O4/c1-25-15-6-11(7-16(26-2)17(15)27-3)18(24)22-12-4-5-14(13(19)8-12)23-10-20-9-21-23/h4-10H,1-3H3,(H,22,24)
InChIKeyQNGAHABORKLOCM-UHFFFAOYSA-N
MW372.36 g/mol
LogP2.68
Rot. Bonds6

About N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 51118380) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID51118380
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C18H17FN4O4/c1-25-15-6-11(7-16(26-2)17(15)27-3)18(24)22-12-4-5-14(13(19)8-12)23-10-20-9-21-23/h4-10H,1-3H3,(H,22,24)
InChIKeyQNGAHABORKLOCM-UHFFFAOYSA-N
XLogP2.68
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide 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]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide (CID 51118380) is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is QNGAHABORKLOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-25-15-6-11(7-16(26-2)17(15)27-3)18(24)22-12-4-5-14(13(19)8-12)23-10-20-9-21-23/h4-10H,1-3H3,(H,22,24).
What are the key properties of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide?
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 372.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 51118380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).