N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide

C21H15Cl2N3O3 — CID 55763946

IUPACN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H15Cl2N3O3/c1-13-9-16(29-21-14(11-24)3-2-8-25-21)5-7-19(13)26-20(27)12-28-15-4-6-17(22)18(23)10-15/h2-10H,12H2,1H3,(H,26,27)
InChIKeyLWGZCIKWIQKHEU-UHFFFAOYSA-N
MW428.28 g/mol
LogP5.38
Rot. Bonds6

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide (PubChem CID 55763946) has the molecular formula C21H15Cl2N3O3 and a molecular weight of 428.28 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide
PubChem CID55763946
Molecular FormulaC21H15Cl2N3O3
Molecular Weight428.28 g/mol
Exact Mass427.05
IUPAC NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H15Cl2N3O3/c1-13-9-16(29-21-14(11-24)3-2-8-25-21)5-7-19(13)26-20(27)12-28-15-4-6-17(22)18(23)10-15/h2-10H,12H2,1H3,(H,26,27)
InChIKeyLWGZCIKWIQKHEU-UHFFFAOYSA-N
XLogP5.38
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.28
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 55763808
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 55647504
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(2-fluorophenyl)propanamide
CID 55764183
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
CID 46428401
2-chloro-N-[3-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-3-oxopropyl]-4-fluorobenzamide
CID 55763846
N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55930783
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(2-ethoxyphenyl)propanamide
CID 46485355
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
CID 46485325
5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide
CID 71934594
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
CID 46428427
7-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 55647529

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide (CID 55763946) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide?
The InChIKey is LWGZCIKWIQKHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O3/c1-13-9-16(29-21-14(11-24)3-2-8-25-21)5-7-19(13)26-20(27)12-28-15-4-6-17(22)18(23)10-15/h2-10H,12H2,1H3,(H,26,27).
What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide?
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide has a molecular weight of 428.28 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 55763946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).