N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C22H22FN3O2 — CID 166234080

IUPACN-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NC(c1ccccc1F)C1CCCC1
InChIInChI=1S/C22H22FN3O2/c23-18-12-6-5-11-17(18)21(14-7-1-2-8-14)24-20(27)13-19-15-9-3-4-10-16(15)22(28)26-25-19/h3-6,9-12,14,21H,1-2,7-8,13H2,(H,24,27)(H,26,28)
InChIKeyZMGGCWFYXHMJBS-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.65
Rot. Bonds5

About N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 166234080) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID166234080
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NC(c1ccccc1F)C1CCCC1
InChIInChI=1S/C22H22FN3O2/c23-18-12-6-5-11-17(18)21(14-7-1-2-8-14)24-20(27)13-19-15-9-3-4-10-16(15)22(28)26-25-19/h3-6,9-12,14,21H,1-2,7-8,13H2,(H,24,27)(H,26,28)
InChIKeyZMGGCWFYXHMJBS-UHFFFAOYSA-N
XLogP3.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
CID 119815702
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 97053712
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 71972268
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119815713
N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17416824
N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119815704
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 42957552
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide
CID 97053702
(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid
CID 133269517
N-(4-cyclopentylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 46547828

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 166234080) is N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NC(c1ccccc1F)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is ZMGGCWFYXHMJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-18-12-6-5-11-17(18)21(14-7-1-2-8-14)24-20(27)13-19-15-9-3-4-10-16(15)22(28)26-25-19/h3-6,9-12,14,21H,1-2,7-8,13H2,(H,24,27)(H,26,28).
What are the key properties of N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 166234080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).