N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide

C21H21N3O2 — CID 90490167

IUPACN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide
SMILESO=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C21H21N3O2/c25-20(15-8-2-1-3-9-15)22-14-19-17-12-6-7-13-18(17)21(26)24(23-19)16-10-4-5-11-16/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,22,25)
InChIKeyJLNHYBWGQQKVEA-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.44
Rot. Bonds4

About N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide (PubChem CID 90490167) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide
PubChem CID90490167
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide
SMILESO=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C21H21N3O2/c25-20(15-8-2-1-3-9-15)22-14-19-17-12-6-7-13-18(17)21(26)24(23-19)16-10-4-5-11-16/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,22,25)
InChIKeyJLNHYBWGQQKVEA-UHFFFAOYSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide
CID 90490188
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide
CID 71779529
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-nitrobenzamide
CID 90490202
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide
CID 90490247
2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
CID 90490236
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71779519
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide
CID 90490148
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-methoxyethyl)urea
CID 90490351
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 71779551
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 90490086
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(4-nitrophenyl)acetamide
CID 90490237
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 71779547

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide?
The IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide (CID 90490167) is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide is O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide?
The InChIKey is JLNHYBWGQQKVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(15-8-2-1-3-9-15)22-14-19-17-12-6-7-13-18(17)21(26)24(23-19)16-10-4-5-11-16/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,22,25).
What are the key properties of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide?
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide is sourced from PubChem (CID 90490167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).