N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

C18H12F2N4O2 — CID 135410384

IUPACN-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESO=C(Cn1ncc2c([nH]c3ccccc32)c1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H12F2N4O2/c19-10-5-6-13(20)15(7-10)22-16(25)9-24-18(26)17-12(8-21-24)11-3-1-2-4-14(11)23-17/h1-8,23H,9H2,(H,22,25)
InChIKeyHAFXMRMCOXJMDJ-UHFFFAOYSA-N
MW354.32 g/mol
LogP2.79
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 135410384) has the molecular formula C18H12F2N4O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID135410384
Molecular FormulaC18H12F2N4O2
Molecular Weight354.32 g/mol
Exact Mass354.09
IUPAC NameN-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESO=C(Cn1ncc2c([nH]c3ccccc32)c1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H12F2N4O2/c19-10-5-6-13(20)15(7-10)22-16(25)9-24-18(26)17-12(8-21-24)11-3-1-2-4-14(11)23-17/h1-8,23H,9H2,(H,22,25)
InChIKeyHAFXMRMCOXJMDJ-UHFFFAOYSA-N
XLogP2.79
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550947
N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833515
N-(2,5-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833532
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616
N-(3-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833575
N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833566
2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 135833535
N-(4-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550934
N-(3,4-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833508
N-(2-ethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550982
N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833634
N-(2-bromo-4-methylphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550937

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (CID 135410384) is N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is HAFXMRMCOXJMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2/c19-10-5-6-13(20)15(7-10)22-16(25)9-24-18(26)17-12(8-21-24)11-3-1-2-4-14(11)23-17/h1-8,23H,9H2,(H,22,25).
What are the key properties of N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 354.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 135410384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).