N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide

C24H20ClN3O2 — CID 1287300

IUPACN-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NCc1ccccc1
InChIInChI=1S/C24H20ClN3O2/c25-19-12-10-18(11-13-19)23-20-8-4-5-9-21(20)24(30)28(27-23)15-14-22(29)26-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,29)
InChIKeyLHGGSIYUQIJXFA-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.42
Rot. Bonds6

About N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide

N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide (PubChem CID 1287300) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide
PubChem CID1287300
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC NameN-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NCc1ccccc1
InChIInChI=1S/C24H20ClN3O2/c25-19-12-10-18(11-13-19)23-20-8-4-5-9-21(20)24(30)28(27-23)15-14-22(29)26-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,29)
InChIKeyLHGGSIYUQIJXFA-UHFFFAOYSA-N
XLogP4.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide
CID 3846453
3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide
CID 2024185
2-(4-chlorobutyl)-4-(4-chlorophenyl)phthalazin-1-one
CID 142711589
N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 1085033
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methylphenyl)acetamide
CID 1080053
N-benzyl-2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906069
3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2394049
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one
CID 2946263
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 1309611
2-[(4-chlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]phthalazin-1-one
CID 44724663
ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide?
The IUPAC name of N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide (CID 1287300) is N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide?
The canonical SMILES for N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide is O=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide?
The InChIKey is LHGGSIYUQIJXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-19-12-10-18(11-13-19)23-20-8-4-5-9-21(20)24(30)28(27-23)15-14-22(29)26-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,29).
What are the key properties of N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide?
N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide has a molecular weight of 417.90 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide is sourced from PubChem (CID 1287300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).