2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide

C23H22Cl2N4O4 — CID 55896774

IUPAC2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C23H22Cl2N4O4/c1-14-7-8-19(32-2)18(9-14)29-22(31)13-27-21(30)12-26-17-5-3-4-6-20(17)33-23-16(25)10-15(24)11-28-23/h3-11,26H,12-13H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyRBDBWURLGODSCK-UHFFFAOYSA-N
MW489.36 g/mol
LogP4.66
Rot. Bonds9

About 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide

2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide (PubChem CID 55896774) has the molecular formula C23H22Cl2N4O4 and a molecular weight of 489.36 g/mol. Its IUPAC name is 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
PubChem CID55896774
Molecular FormulaC23H22Cl2N4O4
Molecular Weight489.36 g/mol
Exact Mass488.10
IUPAC Name2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C23H22Cl2N4O4/c1-14-7-8-19(32-2)18(9-14)29-22(31)13-27-21(30)12-26-17-5-3-4-6-20(17)33-23-16(25)10-15(24)11-28-23/h3-11,26H,12-13H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyRBDBWURLGODSCK-UHFFFAOYSA-N
XLogP4.66
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.36
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide with MolForge

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Related Compounds

2-(2-fluoroanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507284
2-(4-chloro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507206
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 60536820
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide
CID 60536795
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60562318
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(3,4-difluorophenyl)acetamide
CID 55766468
2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26506643
2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26528432
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
2-(3,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9098774

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide (CID 55896774) is 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is RBDBWURLGODSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O4/c1-14-7-8-19(32-2)18(9-14)29-22(31)13-27-21(30)12-26-17-5-3-4-6-20(17)33-23-16(25)10-15(24)11-28-23/h3-11,26H,12-13H2,1-2H3,(H,27,30)(H,29,31).
What are the key properties of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 489.36 g/mol, XLogP of 4.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 55896774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).