N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide

C19H22Cl2N2O3 — CID 125432382

IUPACN-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide
SMILESCc1c(OCC(=O)Nc2cc(Cl)ccc2Cl)c(=O)ccn1CCC(C)C
InChIInChI=1S/C19H22Cl2N2O3/c1-12(2)6-8-23-9-7-17(24)19(13(23)3)26-11-18(25)22-16-10-14(20)4-5-15(16)21/h4-5,7,9-10,12H,6,8,11H2,1-3H3,(H,22,25)
InChIKeyQXGBZUHDSKOXRZ-UHFFFAOYSA-N
MW397.30 g/mol
LogP4.53
Rot. Bonds7

About N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide

N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide (PubChem CID 125432382) has the molecular formula C19H22Cl2N2O3 and a molecular weight of 397.30 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide
PubChem CID125432382
Molecular FormulaC19H22Cl2N2O3
Molecular Weight397.30 g/mol
Exact Mass396.10
IUPAC NameN-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide
SMILESCc1c(OCC(=O)Nc2cc(Cl)ccc2Cl)c(=O)ccn1CCC(C)C
InChIInChI=1S/C19H22Cl2N2O3/c1-12(2)6-8-23-9-7-17(24)19(13(23)3)26-11-18(25)22-16-10-14(20)4-5-15(16)21/h4-5,7,9-10,12H,6,8,11H2,1-3H3,(H,22,25)
InChIKeyQXGBZUHDSKOXRZ-UHFFFAOYSA-N
XLogP4.53
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide
CID 121238918
2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide
CID 121240049
N-(2,5-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 108993299
N-(2,5-dichlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7899903
2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 28913451
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-phenylacetamide
CID 52897996
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 40666697
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178170
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide (CID 125432382) is N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide is Cc1c(OCC(=O)Nc2cc(Cl)ccc2Cl)c(=O)ccn1CCC(C)C.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide?
The InChIKey is QXGBZUHDSKOXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3/c1-12(2)6-8-23-9-7-17(24)19(13(23)3)26-11-18(25)22-16-10-14(20)4-5-15(16)21/h4-5,7,9-10,12H,6,8,11H2,1-3H3,(H,22,25).
What are the key properties of N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide?
N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide has a molecular weight of 397.30 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 125432382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).