2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

C19H16ClN3O3 — CID 108769888

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)ccc1Cl
InChIInChI=1S/C19H16ClN3O3/c1-12-9-15(5-6-16(12)20)26-11-19(25)21-14-4-2-3-13(10-14)17-7-8-18(24)23-22-17/h2-10H,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyXEMBKTZCGOKTBD-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 108769888) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID108769888
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)ccc1Cl
InChIInChI=1S/C19H16ClN3O3/c1-12-9-15(5-6-16(12)20)26-11-19(25)21-14-4-2-3-13(10-14)17-7-8-18(24)23-22-17/h2-10H,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyXEMBKTZCGOKTBD-UHFFFAOYSA-N
XLogP3.42
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 49033929
2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108747829
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979
4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
CID 49035162
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165456
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 46761769
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158805

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (CID 108769888) is 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is Cc1cc(OCC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is XEMBKTZCGOKTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-12-9-15(5-6-16(12)20)26-11-19(25)21-14-4-2-3-13(10-14)17-7-8-18(24)23-22-17/h2-10H,11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 369.81 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 108769888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).