2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

C13H11F2N3O2 — CID 70517784

IUPAC2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCc1cc(=O)[nH]nc1-c1ccc(NC(=O)C(F)F)cc1
InChIInChI=1S/C13H11F2N3O2/c1-7-6-10(19)17-18-11(7)8-2-4-9(5-3-8)16-13(20)12(14)15/h2-6,12H,1H3,(H,16,20)(H,17,19)
InChIKeyXPRLOUXULDMCMQ-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.95
Rot. Bonds3

About 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 70517784) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID70517784
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCc1cc(=O)[nH]nc1-c1ccc(NC(=O)C(F)F)cc1
InChIInChI=1S/C13H11F2N3O2/c1-7-6-10(19)17-18-11(7)8-2-4-9(5-3-8)16-13(20)12(14)15/h2-6,12H,1H3,(H,16,20)(H,17,19)
InChIKeyXPRLOUXULDMCMQ-UHFFFAOYSA-N
XLogP1.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 70518956
1-chloro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 70522729
3-chloro-2,2-dimethyl-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]propanamide
CID 70516365
3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one
CID 22744395
cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70519169
3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one
CID 20569969
3-(4-ethylphenyl)-4-methyl-1H-pyridazin-6-one
CID 62783668
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
5-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513291
4-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513243
[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]-prop-2-ynylcarbamothioic S-acid
CID 88729682
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (CID 70517784) is 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)C(F)F)cc1.
What is the InChIKey of 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is XPRLOUXULDMCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-7-6-10(19)17-18-11(7)8-2-4-9(5-3-8)16-13(20)12(14)15/h2-6,12H,1H3,(H,16,20)(H,17,19).
What are the key properties of 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 279.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 70517784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).