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

C23H20N4O — CID 1385049

IUPAC2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide
SMILESCc1ccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H20N4O/c1-15-6-10-17(11-7-15)22-19-4-2-3-5-20(19)23(27-26-22)25-18-12-8-16(9-13-18)14-21(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,27)
InChIKeyKYVZPEHYKGRKQS-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.38
Rot. Bonds5

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

2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide (PubChem CID 1385049) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide
PubChem CID1385049
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide
SMILESCc1ccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H20N4O/c1-15-6-10-17(11-7-15)22-19-4-2-3-5-20(19)23(27-26-22)25-18-12-8-16(9-13-18)14-21(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,27)
InChIKeyKYVZPEHYKGRKQS-UHFFFAOYSA-N
XLogP4.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(4-Tert-butylphenylamino)phthalazin-1-yl)benzamide
CID 5298698
4-(4-p-Tolylamino-phthalazin-1-yl)-benzamide
CID 1416020
4-(4-(m-Tolylamino)phthalazin-1-yl)benzamide
CID 1416247
N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide
CID 626021
2-[4-[[4-(4-Methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenyl]acetamide
CID 1564225
N-(4-methylphenyl)-4-phenylphthalazin-1-amine
CID 3124067
N-(3-methylphenyl)-4-phenylphthalazin-1-amine
CID 12797778
(R)-(4-(4-(4-(dimethylamino)phenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
CID 46891299
2-phenyl-N-[6-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]pyridazin-3-yl]acetamide
CID 89596759
4-({4-[4-(diethylcarbamoyl)phenyl]phthalazin-1-yl}amino)-N,N-dimethylbenzamide
CID 1387594
2-[4-(4-Phenyl-phthalazin-1-ylamino)-phenyl]-acetamide
CID 1385107
4-(4-(3-Chlorophenylamino)phthalazin-1-yl)benzamide
CID 1386118

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide (CID 1385049) is 2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide is Cc1ccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc23)cc1.
What is the InChIKey of 2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
The InChIKey is KYVZPEHYKGRKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-15-6-10-17(11-7-15)22-19-4-2-3-5-20(19)23(27-26-22)25-18-12-8-16(9-13-18)14-21(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,27).
What are the key properties of 2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]acetamide is sourced from PubChem (CID 1385049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).