2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide

C19H22Cl2N4O3 — CID 139628610

IUPAC2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(Cl)nnc1-c1ccc(OCC(=O)NCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C19H22Cl2N4O3/c1-13-10-17(21)23-24-19(13)14-2-3-16(15(20)11-14)28-12-18(26)22-4-5-25-6-8-27-9-7-25/h2-3,10-11H,4-9,12H2,1H3,(H,22,26)
InChIKeyQLOYMHAYVYMBFC-UHFFFAOYSA-N
MW425.32 g/mol
LogP2.59
Rot. Bonds7

About 2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide

2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 139628610) has the molecular formula C19H22Cl2N4O3 and a molecular weight of 425.32 g/mol. Its IUPAC name is 2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID139628610
Molecular FormulaC19H22Cl2N4O3
Molecular Weight425.32 g/mol
Exact Mass424.11
IUPAC Name2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(Cl)nnc1-c1ccc(OCC(=O)NCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C19H22Cl2N4O3/c1-13-10-17(21)23-24-19(13)14-2-3-16(15(20)11-14)28-12-18(26)22-4-5-25-6-8-27-9-7-25/h2-3,10-11H,4-9,12H2,1H3,(H,22,26)
InChIKeyQLOYMHAYVYMBFC-UHFFFAOYSA-N
XLogP2.59
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 35161239
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
2-(2,6-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 18892490
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
2-(2-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 112977303
2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 5146954
2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 4910162
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 134002654
2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 51159372
4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 3148041
2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266468

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide (CID 139628610) is 2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide is Cc1cc(Cl)nnc1-c1ccc(OCC(=O)NCCN2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is QLOYMHAYVYMBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O3/c1-13-10-17(21)23-24-19(13)14-2-3-16(15(20)11-14)28-12-18(26)22-4-5-25-6-8-27-9-7-25/h2-3,10-11H,4-9,12H2,1H3,(H,22,26).
What are the key properties of 2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide?
2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 425.32 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 139628610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).