2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide

C13H8ClN3O4 — CID 106685230

IUPAC2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide
SMILESO=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccoc1Cl
InChIInChI=1S/C13H8ClN3O4/c14-10-7(4-5-21-10)11(18)15-8-3-1-2-6-9(8)13(20)17-16-12(6)19/h1-5H,(H,15,18)(H,16,19)(H,17,20)
InChIKeyMOEKQVUYSOQWLO-UHFFFAOYSA-N
MW305.68 g/mol
LogP1.72
Rot. Bonds2

About 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide

2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide (PubChem CID 106685230) has the molecular formula C13H8ClN3O4 and a molecular weight of 305.68 g/mol. Its IUPAC name is 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide
PubChem CID106685230
Molecular FormulaC13H8ClN3O4
Molecular Weight305.68 g/mol
Exact Mass305.02
IUPAC Name2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide
SMILESO=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccoc1Cl
InChIInChI=1S/C13H8ClN3O4/c14-10-7(4-5-21-10)11(18)15-8-3-1-2-6-9(8)13(20)17-16-12(6)19/h1-5H,(H,15,18)(H,16,19)(H,17,20)
InChIKeyMOEKQVUYSOQWLO-UHFFFAOYSA-N
XLogP1.72
TPSA107.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.68
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-quinolin-5-ylfuran-3-carboxamide
CID 106685203
2-chloro-N-quinolin-8-ylfuran-3-carboxamide
CID 106685180
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide
CID 110734426
2-chloro-N-isoquinolin-5-ylfuran-3-carboxamide
CID 106685472
3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide
CID 64524610
N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106999665
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754
4-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 60651857
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide
CID 3993639
2-chloro-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
CID 106685838
2-chloro-N-(4-chloro-2-fluorophenyl)furan-3-carboxamide
CID 106685654
5-(hydroxymethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 11521306

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide (CID 106685230) is 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide is O=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide?
The InChIKey is MOEKQVUYSOQWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O4/c14-10-7(4-5-21-10)11(18)15-8-3-1-2-6-9(8)13(20)17-16-12(6)19/h1-5H,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide?
2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide has a molecular weight of 305.68 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide is sourced from PubChem (CID 106685230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).