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

C21H20FN3O2 — CID 90490188

IUPACN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide
SMILESO=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1cccc(F)c1
InChIInChI=1S/C21H20FN3O2/c22-15-7-5-6-14(12-15)20(26)23-13-19-17-10-3-4-11-18(17)21(27)25(24-19)16-8-1-2-9-16/h3-7,10-12,16H,1-2,8-9,13H2,(H,23,26)
InChIKeyWEUVCTJNWUYHOB-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.58
Rot. Bonds4

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

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide (PubChem CID 90490188) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide
PubChem CID90490188
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide
SMILESO=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1cccc(F)c1
InChIInChI=1S/C21H20FN3O2/c22-15-7-5-6-14(12-15)20(26)23-13-19-17-10-3-4-11-18(17)21(27)25(24-19)16-8-1-2-9-16/h3-7,10-12,16H,1-2,8-9,13H2,(H,23,26)
InChIKeyWEUVCTJNWUYHOB-UHFFFAOYSA-N
XLogP3.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90490167
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-nitrobenzamide
CID 90490202
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide
CID 71779529
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 90490086
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]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 71779551
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide
CID 90490148
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 90490230
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-methoxyethyl)urea
CID 90490351
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(4-nitrophenyl)acetamide
CID 90490237

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide (CID 90490188) is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide is O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1cccc(F)c1.
What is the InChIKey of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide?
The InChIKey is WEUVCTJNWUYHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-15-7-5-6-14(12-15)20(26)23-13-19-17-10-3-4-11-18(17)21(27)25(24-19)16-8-1-2-9-16/h3-7,10-12,16H,1-2,8-9,13H2,(H,23,26).
What are the key properties of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide?
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide has a molecular weight of 365.41 g/mol, XLogP of 3.58, 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]-3-fluorobenzamide is sourced from PubChem (CID 90490188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).