N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide

C23H18ClN3O3 — CID 2035750

IUPACN-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide
SMILESCn1nc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c2ccccc2c1=O
InChIInChI=1S/C23H18ClN3O3/c1-27-23(29)20-5-3-2-4-19(20)22(26-27)15-6-12-18(13-7-15)30-14-21(28)25-17-10-8-16(24)9-11-17/h2-13H,14H2,1H3,(H,25,28)
InChIKeyFWURHFDSASQHII-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.27
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide

N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide (PubChem CID 2035750) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide
PubChem CID2035750
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide
SMILESCn1nc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c2ccccc2c1=O
InChIInChI=1S/C23H18ClN3O3/c1-27-23(29)20-5-3-2-4-19(20)22(26-27)15-6-12-18(13-7-15)30-14-21(28)25-17-10-8-16(24)9-11-17/h2-13H,14H2,1H3,(H,25,28)
InChIKeyFWURHFDSASQHII-UHFFFAOYSA-N
XLogP4.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide (CID 2035750) is N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide is Cn1nc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c2ccccc2c1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide?
The InChIKey is FWURHFDSASQHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-27-23(29)20-5-3-2-4-19(20)22(26-27)15-6-12-18(13-7-15)30-14-21(28)25-17-10-8-16(24)9-11-17/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide?
N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide has a molecular weight of 419.87 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 2035750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).