3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide

C14H14FN3O3 — CID 30847838

IUPAC3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCn1[nH]c(=O)ccc1=O)NCc1ccccc1F
InChIInChI=1S/C14H14FN3O3/c15-11-4-2-1-3-10(11)9-16-12(19)7-8-18-14(21)6-5-13(20)17-18/h1-6H,7-9H2,(H,16,19)(H,17,20)
InChIKeyQZDCUCVMVRZILH-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.38
Rot. Bonds5

About 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide

3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 30847838) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID30847838
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCn1[nH]c(=O)ccc1=O)NCc1ccccc1F
InChIInChI=1S/C14H14FN3O3/c15-11-4-2-1-3-10(11)9-16-12(19)7-8-18-14(21)6-5-13(20)17-18/h1-6H,7-9H2,(H,16,19)(H,17,20)
InChIKeyQZDCUCVMVRZILH-UHFFFAOYSA-N
XLogP0.38
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide (CID 30847838) is 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide is O=C(CCn1[nH]c(=O)ccc1=O)NCc1ccccc1F.
What is the InChIKey of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is QZDCUCVMVRZILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-11-4-2-1-3-10(11)9-16-12(19)7-8-18-14(21)6-5-13(20)17-18/h1-6H,7-9H2,(H,16,19)(H,17,20).
What are the key properties of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide?
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 291.28 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 30847838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).