3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide

C14H13F2N3O2 — CID 121058993

IUPAC3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
SMILESCc1ccc(=O)n(CCNC(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H13F2N3O2/c1-9-2-5-13(20)19(18-9)7-6-17-14(21)10-3-4-11(15)12(16)8-10/h2-5,8H,6-7H2,1H3,(H,17,21)
InChIKeyHMMFZFTYTKJWIG-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.26
Rot. Bonds4

About 3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide

3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide (PubChem CID 121058993) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
PubChem CID121058993
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
SMILESCc1ccc(=O)n(CCNC(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H13F2N3O2/c1-9-2-5-13(20)19(18-9)7-6-17-14(21)10-3-4-11(15)12(16)8-10/h2-5,8H,6-7H2,1H3,(H,17,21)
InChIKeyHMMFZFTYTKJWIG-UHFFFAOYSA-N
XLogP1.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 55157225
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-3,5-dinitrobenzamide
CID 121059074
5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058895
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033927
2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058915
3,4-difluoro-N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]benzamide
CID 121078621
2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058925
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide
CID 121059019
2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 121058930
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121059030
3,4-difluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588575
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide (CID 121058993) is 3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide is Cc1ccc(=O)n(CCNC(=O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of 3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
The InChIKey is HMMFZFTYTKJWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-9-2-5-13(20)19(18-9)7-6-17-14(21)10-3-4-11(15)12(16)8-10/h2-5,8H,6-7H2,1H3,(H,17,21).
What are the key properties of 3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide?
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide has a molecular weight of 293.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 121058993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).