2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide

C24H19Cl2N3O4 — CID 2396008

IUPAC2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide
SMILESCC(C)n1cc(C(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C#N)c1=O
InChIInChI=1S/C24H19Cl2N3O4/c1-14(2)29-12-16(9-15(11-27)24(29)32)23(31)18-5-3-4-6-21(18)33-13-22(30)28-17-7-8-19(25)20(26)10-17/h3-10,12,14H,13H2,1-2H3,(H,28,30)
InChIKeyMQCFEWSRJWJXMF-UHFFFAOYSA-N
MW484.34 g/mol
LogP4.86
Rot. Bonds7

About 2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide

2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 2396008) has the molecular formula C24H19Cl2N3O4 and a molecular weight of 484.34 g/mol. Its IUPAC name is 2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide
PubChem CID2396008
Molecular FormulaC24H19Cl2N3O4
Molecular Weight484.34 g/mol
Exact Mass483.08
IUPAC Name2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide
SMILESCC(C)n1cc(C(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C#N)c1=O
InChIInChI=1S/C24H19Cl2N3O4/c1-14(2)29-12-16(9-15(11-27)24(29)32)23(31)18-5-3-4-6-21(18)33-13-22(30)28-17-7-8-19(25)20(26)10-17/h3-10,12,14H,13H2,1-2H3,(H,28,30)
InChIKeyMQCFEWSRJWJXMF-UHFFFAOYSA-N
XLogP4.86
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide
CID 2495032
2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid
CID 4671678
ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
CID 7694682
2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 2483657
N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114
2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 62904626
2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 25491912
2-(2-chlorophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 9293522
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227700
2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide
CID 4785529
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide (CID 2396008) is 2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide is CC(C)n1cc(C(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C#N)c1=O.
What is the InChIKey of 2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is MQCFEWSRJWJXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O4/c1-14(2)29-12-16(9-15(11-27)24(29)32)23(31)18-5-3-4-6-21(18)33-13-22(30)28-17-7-8-19(25)20(26)10-17/h3-10,12,14H,13H2,1-2H3,(H,28,30).
What are the key properties of 2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide?
2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 484.34 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenoxy]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 2396008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).