2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide

C23H20N4O2 — CID 1385045

IUPAC2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide
SMILESCOc1ccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H20N4O2/c1-29-18-12-8-16(9-13-18)22-19-4-2-3-5-20(19)23(27-26-22)25-17-10-6-15(7-11-17)14-21(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,27)
InChIKeyMAECILYKCQUQAF-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.08
Rot. Bonds6

About 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide

2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide (PubChem CID 1385045) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide
PubChem CID1385045
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide
SMILESCOc1ccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H20N4O2/c1-29-18-12-8-16(9-13-18)22-19-4-2-3-5-20(19)23(27-26-22)25-17-10-6-15(7-11-17)14-21(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,27)
InChIKeyMAECILYKCQUQAF-UHFFFAOYSA-N
XLogP4.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide (CID 1385045) is 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide is COc1ccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc23)cc1.
What is the InChIKey of 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
The InChIKey is MAECILYKCQUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-29-18-12-8-16(9-13-18)22-19-4-2-3-5-20(19)23(27-26-22)25-17-10-6-15(7-11-17)14-21(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,27).
What are the key properties of 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide is sourced from PubChem (CID 1385045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).