3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

C23H20N4O5 — CID 55877392

IUPAC3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C23H20N4O5/c28-20(14-27-23(31)19-9-2-1-8-18(19)22(30)26-27)24-12-15-5-3-6-16(11-15)21(29)25-13-17-7-4-10-32-17/h1-11H,12-14H2,(H,24,28)(H,25,29)(H,26,30)
InChIKeyQPIHIPJJDXOQJR-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.53
Rot. Bonds7

About 3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55877392) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is 3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID55877392
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC Name3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C23H20N4O5/c28-20(14-27-23(31)19-9-2-1-8-18(19)22(30)26-27)24-12-15-5-3-6-16(11-15)21(29)25-13-17-7-4-10-32-17/h1-11H,12-14H2,(H,24,28)(H,25,29)(H,26,30)
InChIKeyQPIHIPJJDXOQJR-UHFFFAOYSA-N
XLogP1.53
TPSA126.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide with MolForge

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Related Compounds

N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55923658
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 40669798
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55847820
N-[3-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 55877656
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide
CID 55924427
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 60532837
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 55877392) is 3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is QPIHIPJJDXOQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c28-20(14-27-23(31)19-9-2-1-8-18(19)22(30)26-27)24-12-15-5-3-6-16(11-15)21(29)25-13-17-7-4-10-32-17/h1-11H,12-14H2,(H,24,28)(H,25,29)(H,26,30).
What are the key properties of 3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 432.44 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55877392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).