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

C27H20N4O2 — CID 1386351

IUPAC4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C27H20N4O2/c32-22-16-12-18(13-17-22)25-23-8-4-5-9-24(23)26(31-30-25)28-21-14-10-19(11-15-21)27(33)29-20-6-2-1-3-7-20/h1-17,32H,(H,28,31)(H,29,33)
InChIKeyUPKNGUQNXSMHBE-UHFFFAOYSA-N
MW432.48 g/mol
LogP6.00
Rot. Bonds5

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

4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide (PubChem CID 1386351) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide
PubChem CID1386351
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC Name4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C27H20N4O2/c32-22-16-12-18(13-17-22)25-23-8-4-5-9-24(23)26(31-30-25)28-21-14-10-19(11-15-21)27(33)29-20-6-2-1-3-7-20/h1-17,32H,(H,28,31)(H,29,33)
InChIKeyUPKNGUQNXSMHBE-UHFFFAOYSA-N
XLogP6.00
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-{[(1Z)-4-(4-hydroxyphenyl)phthalazin-1(2H)-ylidene]amino}phenol
CID 1419264
N,N-Diethyl-4-[4-(4-hydroxy-phenylamino)-phthalazin-1-yl]-benzamide
CID 1386453
N-(4-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}phenyl)acetamide
CID 1419995
4-(4-(Phenylamino)phthalazin-1-yl)phenol
CID 1416233
5-((4-(4-Hydroxyphenyl)phthalazin-1-yl)amino)-2-methoxybenzamide
CID 1384343
4-((4-(4-hydroxyphenyl)phthalazin-1-yl)amino)-N,N-dimethylbenzamide
CID 1388925
N,N-Diethyl-4-[4-(3-hydroxy-phenylamino)-phthalazin-1-yl]-benzamide
CID 1389349
N,N-diethyl-4-((4-(4-hydroxyphenyl)phthalazin-1-yl)amino)benzamide
CID 1389743
N-(2-hydroxyethyl)-4-(4-((4-hydroxyphenyl)amino)phthalazin-1-yl)benzamide
CID 1917022
4-((4-(4-Hydroxyphenyl)phthalazin-1-yl)amino)benzamide
CID 1076561
2-[4-[[4-(4-Methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide
CID 1385045
4-{4-[(4-Hydroxyphenyl)amino]phthalazin-1-yl}phenol
CID 1584513

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide?
The IUPAC name of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide (CID 1386351) is 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide.
What is the SMILES notation for 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide?
The canonical SMILES for 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide?
The InChIKey is UPKNGUQNXSMHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2/c32-22-16-12-18(13-17-22)25-23-8-4-5-9-24(23)26(31-30-25)28-21-14-10-19(11-15-21)27(33)29-20-6-2-1-3-7-20/h1-17,32H,(H,28,31)(H,29,33).
What are the key properties of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide?
4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide has a molecular weight of 432.48 g/mol, XLogP of 6.00, 5 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]-N-phenylbenzamide is sourced from PubChem (CID 1386351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).