2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide

C17H20ClN3O3 — CID 121068674

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide
SMILESCc1cc(OC(C)C(=O)NCCCn2ncccc2=O)ccc1Cl
InChIInChI=1S/C17H20ClN3O3/c1-12-11-14(6-7-15(12)18)24-13(2)17(23)19-8-4-10-21-16(22)5-3-9-20-21/h3,5-7,9,11,13H,4,8,10H2,1-2H3,(H,19,23)
InChIKeyOTYXHGWPXHNEPV-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.18
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide

2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide (PubChem CID 121068674) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide
PubChem CID121068674
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide
SMILESCc1cc(OC(C)C(=O)NCCCn2ncccc2=O)ccc1Cl
InChIInChI=1S/C17H20ClN3O3/c1-12-11-14(6-7-15(12)18)24-13(2)17(23)19-8-4-10-21-16(22)5-3-9-20-21/h3,5-7,9,11,13H,4,8,10H2,1-2H3,(H,19,23)
InChIKeyOTYXHGWPXHNEPV-UHFFFAOYSA-N
XLogP2.18
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853
5-[2-(4-chloro-3-methylphenoxy)propanoylamino]pentanoic acid
CID 119235299
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 30948558
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 99132986
2-(4-chloro-3-methylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 132656767
(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 35576672
1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948397
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132652833
1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948615
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948625

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide (CID 121068674) is 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide is Cc1cc(OC(C)C(=O)NCCCn2ncccc2=O)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide?
The InChIKey is OTYXHGWPXHNEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-12-11-14(6-7-15(12)18)24-13(2)17(23)19-8-4-10-21-16(22)5-3-9-20-21/h3,5-7,9,11,13H,4,8,10H2,1-2H3,(H,19,23).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide?
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide has a molecular weight of 349.82 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide is sourced from PubChem (CID 121068674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).