N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide

C18H16BrN3O2 — CID 21106603

IUPACN-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1ccc(-n2nc(Br)c3ccccc3c2=O)cc1
InChIInChI=1S/C18H16BrN3O2/c1-3-21(12(2)23)13-8-10-14(11-9-13)22-18(24)16-7-5-4-6-15(16)17(19)20-22/h4-11H,3H2,1-2H3
InChIKeyMQLOIKNONDHFHH-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.52
Rot. Bonds3

About N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide

N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide (PubChem CID 21106603) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide
PubChem CID21106603
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1ccc(-n2nc(Br)c3ccccc3c2=O)cc1
InChIInChI=1S/C18H16BrN3O2/c1-3-21(12(2)23)13-8-10-14(11-9-13)22-18(24)16-7-5-4-6-15(16)17(19)20-22/h4-11H,3H2,1-2H3
InChIKeyMQLOIKNONDHFHH-UHFFFAOYSA-N
XLogP3.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide
CID 52937819
2-(4-bromophenyl)-4-methylphthalazin-1-one
CID 755477
4-bromo-2-methylphthalazin-1-one
CID 50994048
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
4-bromo-2-(4-phenylsulfanylphenyl)phthalazin-1-one;3-(4-phenylsulfanylphenyl)-2H-phthalazine-1,4-dione
CID 157298779
2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide
CID 174953014
ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
CID 113172989
3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide
CID 2805926
N-ethyl-5-(isocyanomethyl)-3-(4-methylphenyl)-4-oxo-N-phenylpyridazino[4,5-b]indole-1-carboxamide
CID 123792597
N-ethyl-5,9-dimethyl-3-(4-methylphenyl)-4-oxo-N-phenylpyridazino[4,5-b]indole-1-carboxamide
CID 87055362
4-(hydroxymethyl)-2-phenylphthalazin-1-one
CID 12649918

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide?
The IUPAC name of N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide (CID 21106603) is N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide.
What is the SMILES notation for N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide?
The canonical SMILES for N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide is CCN(C(C)=O)c1ccc(-n2nc(Br)c3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide?
The InChIKey is MQLOIKNONDHFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-3-21(12(2)23)13-8-10-14(11-9-13)22-18(24)16-7-5-4-6-15(16)17(19)20-22/h4-11H,3H2,1-2H3.
What are the key properties of N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide?
N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide has a molecular weight of 386.25 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromo-1-oxophthalazin-2-yl)phenyl]-N-ethylacetamide is sourced from PubChem (CID 21106603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).