N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide

C19H15ClFN3O2 — CID 163606604

IUPACN-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide
SMILESCc1ccc(Oc2ccc(F)cc2C)c(C(=O)Nc2cnnc(Cl)c2)c1
InChIInChI=1S/C19H15ClFN3O2/c1-11-3-5-17(26-16-6-4-13(21)8-12(16)2)15(7-11)19(25)23-14-9-18(20)24-22-10-14/h3-10H,1-2H3,(H,23,24,25)
InChIKeyKDVBOAWWANPGKC-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.93
Rot. Bonds4

About N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide

N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide (PubChem CID 163606604) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide
PubChem CID163606604
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC NameN-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide
SMILESCc1ccc(Oc2ccc(F)cc2C)c(C(=O)Nc2cnnc(Cl)c2)c1
InChIInChI=1S/C19H15ClFN3O2/c1-11-3-5-17(26-16-6-4-13(21)8-12(16)2)15(7-11)19(25)23-14-9-18(20)24-22-10-14/h3-10H,1-2H3,(H,23,24,25)
InChIKeyKDVBOAWWANPGKC-UHFFFAOYSA-N
XLogP4.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide?
The IUPAC name of N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide (CID 163606604) is N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide.
What is the SMILES notation for N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide?
The canonical SMILES for N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide is Cc1ccc(Oc2ccc(F)cc2C)c(C(=O)Nc2cnnc(Cl)c2)c1.
What is the InChIKey of N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide?
The InChIKey is KDVBOAWWANPGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-11-3-5-17(26-16-6-4-13(21)8-12(16)2)15(7-11)19(25)23-14-9-18(20)24-22-10-14/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide?
N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide has a molecular weight of 371.80 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-4-yl)-2-(4-fluoro-2-methylphenoxy)-5-methylbenzamide is sourced from PubChem (CID 163606604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).