4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide

C21H16N4O2 — CID 1076561

IUPAC4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C21H16N4O2/c22-20(27)14-5-9-15(10-6-14)23-21-18-4-2-1-3-17(18)19(24-25-21)13-7-11-16(26)12-8-13/h1-12,26H,(H2,22,27)(H,23,25)
InChIKeyLGCIFOOQZRHNIN-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.84
Rot. Bonds4

About 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide

4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide (PubChem CID 1076561) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide
PubChem CID1076561
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C21H16N4O2/c22-20(27)14-5-9-15(10-6-14)23-21-18-4-2-1-3-17(18)19(24-25-21)13-7-11-16(26)12-8-13/h1-12,26H,(H2,22,27)(H,23,25)
InChIKeyLGCIFOOQZRHNIN-UHFFFAOYSA-N
XLogP3.84
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide?
The IUPAC name of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide (CID 1076561) is 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide?
The canonical SMILES for 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide is NC(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide?
The InChIKey is LGCIFOOQZRHNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c22-20(27)14-5-9-15(10-6-14)23-21-18-4-2-1-3-17(18)19(24-25-21)13-7-11-16(26)12-8-13/h1-12,26H,(H2,22,27)(H,23,25).
What are the key properties of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide?
4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide has a molecular weight of 356.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide is sourced from PubChem (CID 1076561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).