N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide

C20H20N4O3 — CID 58408827

IUPACN-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide
SMILESCC(C)(C)C(=O)c1cn(-c2ccc(NC(=O)c3ccc(O)cc3)cc2)nn1
InChIInChI=1S/C20H20N4O3/c1-20(2,3)18(26)17-12-24(23-22-17)15-8-6-14(7-9-15)21-19(27)13-4-10-16(25)11-5-13/h4-12,25H,1-3H3,(H,21,27)
InChIKeyVHIFNSDTWGPSNF-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.45
Rot. Bonds4

About N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide

N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide (PubChem CID 58408827) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide
PubChem CID58408827
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide
SMILESCC(C)(C)C(=O)c1cn(-c2ccc(NC(=O)c3ccc(O)cc3)cc2)nn1
InChIInChI=1S/C20H20N4O3/c1-20(2,3)18(26)17-12-24(23-22-17)15-8-6-14(7-9-15)21-19(27)13-4-10-16(25)11-5-13/h4-12,25H,1-3H3,(H,21,27)
InChIKeyVHIFNSDTWGPSNF-UHFFFAOYSA-N
XLogP3.45
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide?
The IUPAC name of N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide (CID 58408827) is N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide?
The canonical SMILES for N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide is CC(C)(C)C(=O)c1cn(-c2ccc(NC(=O)c3ccc(O)cc3)cc2)nn1.
What is the InChIKey of N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide?
The InChIKey is VHIFNSDTWGPSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-20(2,3)18(26)17-12-24(23-22-17)15-8-6-14(7-9-15)21-19(27)13-4-10-16(25)11-5-13/h4-12,25H,1-3H3,(H,21,27).
What are the key properties of N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide?
N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide has a molecular weight of 364.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,2-dimethylpropanoyl)triazol-1-yl]phenyl]-4-hydroxybenzamide is sourced from PubChem (CID 58408827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).