(4-benzoylphthalazin-1-yl)-phenylmethanone

C22H14N2O2 — CID 21134746

IUPAC(4-benzoylphthalazin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1nnc(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H14N2O2/c25-21(15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)20(24-23-19)22(26)16-11-5-2-6-12-16/h1-14H
InChIKeyYEHMIGMIZLTLFT-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.09
Rot. Bonds4

About (4-benzoylphthalazin-1-yl)-phenylmethanone

(4-benzoylphthalazin-1-yl)-phenylmethanone (PubChem CID 21134746) has the molecular formula C22H14N2O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is (4-benzoylphthalazin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-benzoylphthalazin-1-yl)-phenylmethanone
PubChem CID21134746
Molecular FormulaC22H14N2O2
Molecular Weight338.37 g/mol
Exact Mass338.11
IUPAC Name(4-benzoylphthalazin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1nnc(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H14N2O2/c25-21(15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)20(24-23-19)22(26)16-11-5-2-6-12-16/h1-14H
InChIKeyYEHMIGMIZLTLFT-UHFFFAOYSA-N
XLogP4.09
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diphenylmethanone
CID 3102
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757
2,2-dimethylpropane;diphenylmethanone
CID 159191976
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879
4-hydrazinylphthalazine-1-carboxylic acid
CID 18801983
2,5,6-tribenzoylpyridine-3-carboxamide
CID 141443118
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
CID 70582995

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphthalazin-1-yl)-phenylmethanone?
The IUPAC name of (4-benzoylphthalazin-1-yl)-phenylmethanone (CID 21134746) is (4-benzoylphthalazin-1-yl)-phenylmethanone.
What is the SMILES notation for (4-benzoylphthalazin-1-yl)-phenylmethanone?
The canonical SMILES for (4-benzoylphthalazin-1-yl)-phenylmethanone is O=C(c1ccccc1)c1nnc(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of (4-benzoylphthalazin-1-yl)-phenylmethanone?
The InChIKey is YEHMIGMIZLTLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2/c25-21(15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)20(24-23-19)22(26)16-11-5-2-6-12-16/h1-14H.
What are the key properties of (4-benzoylphthalazin-1-yl)-phenylmethanone?
(4-benzoylphthalazin-1-yl)-phenylmethanone has a molecular weight of 338.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphthalazin-1-yl)-phenylmethanone is sourced from PubChem (CID 21134746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).