N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide

C23H18FN5O3 — CID 22331264

IUPACN-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(F)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H18FN5O3/c1-32-19-13-9-16(10-14-19)21(31)26-23-27-22(28-29(23)18-5-3-2-4-6-18)25-20(30)15-7-11-17(24)12-8-15/h2-14H,1H3,(H2,25,26,27,28,30,31)
InChIKeyUWDCAFSARDUOHW-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.92
Rot. Bonds6

About N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide

N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide (PubChem CID 22331264) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide
PubChem CID22331264
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC NameN-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(F)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H18FN5O3/c1-32-19-13-9-16(10-14-19)21(31)26-23-27-22(28-29(23)18-5-3-2-4-6-18)25-20(30)15-7-11-17(24)12-8-15/h2-14H,1H3,(H2,25,26,27,28,30,31)
InChIKeyUWDCAFSARDUOHW-UHFFFAOYSA-N
XLogP3.92
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide (CID 22331264) is N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(F)cc3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide?
The InChIKey is UWDCAFSARDUOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c1-32-19-13-9-16(10-14-19)21(31)26-23-27-22(28-29(23)18-5-3-2-4-6-18)25-20(30)15-7-11-17(24)12-8-15/h2-14H,1H3,(H2,25,26,27,28,30,31).
What are the key properties of N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide?
N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide has a molecular weight of 431.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorobenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 22331264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).