N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C15H13N3O3 — CID 171679416

IUPACN-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccoc1
InChIInChI=1S/C15H13N3O3/c19-14(16-8-10-5-6-21-9-10)7-13-11-3-1-2-4-12(11)15(20)18-17-13/h1-6,9H,7-8H2,(H,16,19)(H,18,20)
InChIKeyGJJBRMQNLXUUGK-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.38
Rot. Bonds4

About N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 171679416) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID171679416
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccoc1
InChIInChI=1S/C15H13N3O3/c19-14(16-8-10-5-6-21-9-10)7-13-11-3-1-2-4-12(11)15(20)18-17-13/h1-6,9H,7-8H2,(H,16,19)(H,18,20)
InChIKeyGJJBRMQNLXUUGK-UHFFFAOYSA-N
XLogP1.38
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide
CID 2547939
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 171679450
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-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17406582
2-(4-oxo-3H-phthalazin-1-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9143875
2-(4-fluorophenyl)-N-(furan-3-ylmethyl)acetamide
CID 47285310
2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide
CID 17472409
2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 41288243

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 171679416) is N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is GJJBRMQNLXUUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14(16-8-10-5-6-21-9-10)7-13-11-3-1-2-4-12(11)15(20)18-17-13/h1-6,9H,7-8H2,(H,16,19)(H,18,20).
What are the key properties of N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 283.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 171679416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).