N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

C20H19BrN4O3 — CID 53137056

IUPACN-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(N2CCOCC2)c2ccccc2c1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H19BrN4O3/c21-14-5-7-15(8-6-14)22-18(26)13-25-20(27)17-4-2-1-3-16(17)19(23-25)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,22,26)
InChIKeyYMDPQRATOJOFJJ-UHFFFAOYSA-N
MW443.30 g/mol
LogP2.63
Rot. Bonds4

About N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (PubChem CID 53137056) has the molecular formula C20H19BrN4O3 and a molecular weight of 443.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
PubChem CID53137056
Molecular FormulaC20H19BrN4O3
Molecular Weight443.30 g/mol
Exact Mass442.06
IUPAC NameN-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(N2CCOCC2)c2ccccc2c1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H19BrN4O3/c21-14-5-7-15(8-6-14)22-18(26)13-25-20(27)17-4-2-1-3-16(17)19(23-25)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,22,26)
InChIKeyYMDPQRATOJOFJJ-UHFFFAOYSA-N
XLogP2.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (CID 53137056) is N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is O=C(Cn1nc(N2CCOCC2)c2ccccc2c1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is YMDPQRATOJOFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O3/c21-14-5-7-15(8-6-14)22-18(26)13-25-20(27)17-4-2-1-3-16(17)19(23-25)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,22,26).
What are the key properties of N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 443.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 53137056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).