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

C23H19FN4O3 — CID 42810002

IUPAC4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(-c2nc(OC)nn2-c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H19FN4O3/c1-30-20-12-8-15(9-13-20)21-26-23(31-2)27-28(21)19-5-3-4-18(14-19)25-22(29)16-6-10-17(24)11-7-16/h3-14H,1-2H3,(H,25,29)
InChIKeyUHFCUUCUGKLUGM-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.34
Rot. Bonds6

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

4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide (PubChem CID 42810002) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
PubChem CID42810002
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(-c2nc(OC)nn2-c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H19FN4O3/c1-30-20-12-8-15(9-13-20)21-26-23(31-2)27-28(21)19-5-3-4-18(14-19)25-22(29)16-6-10-17(24)11-7-16/h3-14H,1-2H3,(H,25,29)
InChIKeyUHFCUUCUGKLUGM-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

N-[3-[5-(4-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 24718283
N-[3-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 42810019
N-[3-[5-(3,4-dichlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 83284360
N-[3-[3-[2-(4-methoxyphenyl)ethoxy]-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-4-nitrobenzamide
CID 42809870
N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-4-fluorobenzamide
CID 24717981
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 50745403
N-[3-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-4-fluorobenzamide
CID 24718282
N-[3-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]cyclobutanecarboxamide
CID 46134239
N-[4-[3-ethoxy-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]-4-methylbenzamide
CID 42809983
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266948
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide (CID 42810002) is 4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide is COc1ccc(-c2nc(OC)nn2-c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide?
The InChIKey is UHFCUUCUGKLUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-30-20-12-8-15(9-13-20)21-26-23(31-2)27-28(21)19-5-3-4-18(14-19)25-22(29)16-6-10-17(24)11-7-16/h3-14H,1-2H3,(H,25,29).
What are the key properties of 4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide?
4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]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 4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 42810002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).