N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide

C23H19N3O3 — CID 2885533

IUPACN-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide
SMILESCOc1ccc(-c2nnc(Oc3cccc(NC(C)=O)c3)c3ccccc23)cc1
InChIInChI=1S/C23H19N3O3/c1-15(27)24-17-6-5-7-19(14-17)29-23-21-9-4-3-8-20(21)22(25-26-23)16-10-12-18(28-2)13-11-16/h3-14H,1-2H3,(H,24,27)
InChIKeyARVLQWSSDPCJGO-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.06
Rot. Bonds5

About N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide

N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide (PubChem CID 2885533) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide
PubChem CID2885533
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide
SMILESCOc1ccc(-c2nnc(Oc3cccc(NC(C)=O)c3)c3ccccc23)cc1
InChIInChI=1S/C23H19N3O3/c1-15(27)24-17-6-5-7-19(14-17)29-23-21-9-4-3-8-20(21)22(25-26-23)16-10-12-18(28-2)13-11-16/h3-14H,1-2H3,(H,24,27)
InChIKeyARVLQWSSDPCJGO-UHFFFAOYSA-N
XLogP5.06
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide
CID 2885356
N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 2900595
N-(3-phthalazin-1-yloxyphenyl)acetamide
CID 6410691
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N-(3-naphthalen-2-yloxyphenyl)acetamide
CID 71156920
N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
CID 127036821
3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate
CID 7109213
N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 6407169
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(4-methoxyphenyl)-4-(1-oxidopyridin-1-ium-2-yl)oxyphthalazine
CID 99630271
N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide
CID 2929675
N-[3-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxyphenyl]acetamide
CID 8852798

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide (CID 2885533) is N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide is COc1ccc(-c2nnc(Oc3cccc(NC(C)=O)c3)c3ccccc23)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide?
The InChIKey is ARVLQWSSDPCJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15(27)24-17-6-5-7-19(14-17)29-23-21-9-4-3-8-20(21)22(25-26-23)16-10-12-18(28-2)13-11-16/h3-14H,1-2H3,(H,24,27).
What are the key properties of N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide?
N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide is sourced from PubChem (CID 2885533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).