N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide

C22H18N4O2 — CID 1419995

IUPACN-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N4O2/c1-14(27)23-16-8-10-17(11-9-16)24-22-20-5-3-2-4-19(20)21(25-26-22)15-6-12-18(28)13-7-15/h2-13,28H,1H3,(H,23,27)(H,24,26)
InChIKeyQNZDWPNJUOHPQK-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.70
Rot. Bonds4

About N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide

N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide (PubChem CID 1419995) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide
PubChem CID1419995
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N4O2/c1-14(27)23-16-8-10-17(11-9-16)24-22-20-5-3-2-4-19(20)21(25-26-22)15-6-12-18(28)13-7-15/h2-13,28H,1H3,(H,23,27)(H,24,26)
InChIKeyQNZDWPNJUOHPQK-UHFFFAOYSA-N
XLogP4.70
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide (CID 1419995) is N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1.
What is the InChIKey of N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
The InChIKey is QNZDWPNJUOHPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-14(27)23-16-8-10-17(11-9-16)24-22-20-5-3-2-4-19(20)21(25-26-22)15-6-12-18(28)13-7-15/h2-13,28H,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide is sourced from PubChem (CID 1419995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).