N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C15H12ClN5O2 — CID 166429063

IUPACN-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cnc(Cl)nc1
InChIInChI=1S/C15H12ClN5O2/c16-15-18-7-9(8-19-15)6-17-13(22)5-12-10-3-1-2-4-11(10)14(23)21-20-12/h1-4,7-8H,5-6H2,(H,17,22)(H,21,23)
InChIKeyXMGXUWPBEVZENX-UHFFFAOYSA-N
MW329.75 g/mol
LogP1.23
Rot. Bonds4

About N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 166429063) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID166429063
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC NameN-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cnc(Cl)nc1
InChIInChI=1S/C15H12ClN5O2/c16-15-18-7-9(8-19-15)6-17-13(22)5-12-10-3-1-2-4-11(10)14(23)21-20-12/h1-4,7-8H,5-6H2,(H,17,22)(H,21,23)
InChIKeyXMGXUWPBEVZENX-UHFFFAOYSA-N
XLogP1.23
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 171679450
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9119889
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 139017463
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 27770013
N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17406582
2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 7626394
N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide
CID 2547939

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 166429063) is N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cnc(Cl)nc1.
What is the InChIKey of N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is XMGXUWPBEVZENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c16-15-18-7-9(8-19-15)6-17-13(22)5-12-10-3-1-2-4-11(10)14(23)21-20-12/h1-4,7-8H,5-6H2,(H,17,22)(H,21,23).
What are the key properties of N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 329.75 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 166429063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).