N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide

C23H19N5O2 — CID 13013090

IUPACN-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide
SMILESCOc1ccc(Nc2nc(NC(=O)c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N5O2/c1-30-19-14-12-18(13-15-19)24-22-25-20(16-8-4-2-5-9-16)26-23(28-22)27-21(29)17-10-6-3-7-11-17/h2-15H,1H3,(H2,24,25,26,27,28,29)
InChIKeyCXBQUXZUEDDJAP-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.54
Rot. Bonds6

About N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide

N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide (PubChem CID 13013090) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide
PubChem CID13013090
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide
SMILESCOc1ccc(Nc2nc(NC(=O)c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N5O2/c1-30-19-14-12-18(13-15-19)24-22-25-20(16-8-4-2-5-9-16)26-23(28-22)27-21(29)17-10-6-3-7-11-17/h2-15H,1H3,(H2,24,25,26,27,28,29)
InChIKeyCXBQUXZUEDDJAP-UHFFFAOYSA-N
XLogP4.54
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide?
The IUPAC name of N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide (CID 13013090) is N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide.
What is the SMILES notation for N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide?
The canonical SMILES for N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide is COc1ccc(Nc2nc(NC(=O)c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide?
The InChIKey is CXBQUXZUEDDJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-30-19-14-12-18(13-15-19)24-22-25-20(16-8-4-2-5-9-16)26-23(28-22)27-21(29)17-10-6-3-7-11-17/h2-15H,1H3,(H2,24,25,26,27,28,29).
What are the key properties of N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide?
N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide has a molecular weight of 397.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide is sourced from PubChem (CID 13013090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).