N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide

C23H19FN4O3 — CID 16652343

IUPACN-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(-n3nncc3-c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C23H19FN4O3/c1-30-19-11-12-22(31-2)20(13-19)26-23(29)16-5-9-18(10-6-16)28-21(14-25-27-28)15-3-7-17(24)8-4-15/h3-14H,1-2H3,(H,26,29)
InChIKeyCXIXENDLYOCUJL-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.34
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide

N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide (PubChem CID 16652343) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
PubChem CID16652343
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC NameN-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(-n3nncc3-c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C23H19FN4O3/c1-30-19-11-12-22(31-2)20(13-19)26-23(29)16-5-9-18(10-6-16)28-21(14-25-27-28)15-3-7-17(24)8-4-15/h3-14H,1-2H3,(H,26,29)
InChIKeyCXIXENDLYOCUJL-UHFFFAOYSA-N
XLogP4.34
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
CID 4172115
N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652321
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate
CID 16652359
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-fluorobenzamide
CID 924135
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 50772604
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 40567340
N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide
CID 59430003
N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652236

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide (CID 16652343) is N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide is COc1ccc(OC)c(NC(=O)c2ccc(-n3nncc3-c3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide?
The InChIKey is CXIXENDLYOCUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-30-19-11-12-22(31-2)20(13-19)26-23(29)16-5-9-18(10-6-16)28-21(14-25-27-28)15-3-7-17(24)8-4-15/h3-14H,1-2H3,(H,26,29).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide?
N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide has a molecular weight of 418.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide is sourced from PubChem (CID 16652343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).