3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide

C20H18F2N4O2 — CID 113048646

IUPAC3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
SMILESCC(C)Oc1ccccc1Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C20H18F2N4O2/c1-12(2)28-17-6-4-3-5-16(17)23-18-9-10-19(26-25-18)24-20(27)13-7-8-14(21)15(22)11-13/h3-12H,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyPTYVDTQXAAZNLK-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.54
Rot. Bonds6

About 3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide

3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide (PubChem CID 113048646) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
PubChem CID113048646
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
SMILESCC(C)Oc1ccccc1Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C20H18F2N4O2/c1-12(2)28-17-6-4-3-5-16(17)23-18-9-10-19(26-25-18)24-20(27)13-7-8-14(21)15(22)11-13/h3-12H,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyPTYVDTQXAAZNLK-UHFFFAOYSA-N
XLogP4.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048623
4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048626
N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113051139
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047986
3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999010
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
CID 113048612
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
6-(2,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129616
3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
CID 113050395
4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045599
N-(2-methoxyphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109177874
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048618

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide (CID 113048646) is 3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide is CC(C)Oc1ccccc1Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nn1.
What is the InChIKey of 3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide?
The InChIKey is PTYVDTQXAAZNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-12(2)28-17-6-4-3-5-16(17)23-18-9-10-19(26-25-18)24-20(27)13-7-8-14(21)15(22)11-13/h3-12H,1-2H3,(H,23,25)(H,24,26,27).
What are the key properties of 3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide?
3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide has a molecular weight of 384.39 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113048646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).