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

C22H18N4O — CID 1385107

IUPAC2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N4O/c23-20(27)14-15-10-12-17(13-11-15)24-22-19-9-5-4-8-18(19)21(25-26-22)16-6-2-1-3-7-16/h1-13H,14H2,(H2,23,27)(H,24,26)
InChIKeyCBWAMGMAFZDXKO-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.07
Rot. Bonds5

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

2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide (PubChem CID 1385107) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide
PubChem CID1385107
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N4O/c23-20(27)14-15-10-12-17(13-11-15)24-22-19-9-5-4-8-18(19)21(25-26-22)16-6-2-1-3-7-16/h1-13H,14H2,(H2,23,27)(H,24,26)
InChIKeyCBWAMGMAFZDXKO-UHFFFAOYSA-N
XLogP4.07
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide?
The IUPAC name of 2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide (CID 1385107) is 2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide?
The InChIKey is CBWAMGMAFZDXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-20(27)14-15-10-12-17(13-11-15)24-22-19-9-5-4-8-18(19)21(25-26-22)16-6-2-1-3-7-16/h1-13H,14H2,(H2,23,27)(H,24,26).
What are the key properties of 2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide?
2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]acetamide is sourced from PubChem (CID 1385107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).