N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide

C22H18N4O4 — CID 55923658

IUPACN-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCc1ccco1)c1cccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C22H18N4O4/c27-20(24-13-16-7-4-10-30-16)15-6-3-5-14(11-15)12-23-22(29)19-17-8-1-2-9-18(17)21(28)26-25-19/h1-11H,12-13H2,(H,23,29)(H,24,27)(H,26,28)
InChIKeyJPAGNFSRPVZDBR-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.38
Rot. Bonds6

About N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 55923658) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID55923658
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC NameN-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCc1ccco1)c1cccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C22H18N4O4/c27-20(24-13-16-7-4-10-30-16)15-6-3-5-14(11-15)12-23-22(29)19-17-8-1-2-9-18(17)21(28)26-25-19/h1-11H,12-13H2,(H,23,29)(H,24,27)(H,26,28)
InChIKeyJPAGNFSRPVZDBR-UHFFFAOYSA-N
XLogP2.38
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32636396
3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877392
N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24683439
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
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 55877532

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 55923658) is N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is O=C(NCc1ccco1)c1cccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is JPAGNFSRPVZDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c27-20(24-13-16-7-4-10-30-16)15-6-3-5-14(11-15)12-23-22(29)19-17-8-1-2-9-18(17)21(28)26-25-19/h1-11H,12-13H2,(H,23,29)(H,24,27)(H,26,28).
What are the key properties of N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 55923658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).