2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide

C22H23Cl2F2N3O3 — CID 23022188

IUPAC2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CNc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1)NCCO
InChIInChI=1S/C22H23Cl2F2N3O3/c23-17-9-16(28-11-20(31)27-5-6-30)10-18(24)22(17)29-12-13(1-4-21(29)32)7-14-2-3-15(25)8-19(14)26/h2-3,8-10,13,28,30H,1,4-7,11-12H2,(H,27,31)
InChIKeyMJSOHUCFJXHWAI-UHFFFAOYSA-N
MW486.35 g/mol
LogP3.78
Rot. Bonds8

About 2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide

2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide (PubChem CID 23022188) has the molecular formula C22H23Cl2F2N3O3 and a molecular weight of 486.35 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide
PubChem CID23022188
Molecular FormulaC22H23Cl2F2N3O3
Molecular Weight486.35 g/mol
Exact Mass485.11
IUPAC Name2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CNc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1)NCCO
InChIInChI=1S/C22H23Cl2F2N3O3/c23-17-9-16(28-11-20(31)27-5-6-30)10-18(24)22(17)29-12-13(1-4-21(29)32)7-14-2-3-15(25)8-19(14)26/h2-3,8-10,13,28,30H,1,4-7,11-12H2,(H,27,31)
InChIKeyMJSOHUCFJXHWAI-UHFFFAOYSA-N
XLogP3.78
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.35
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide (CID 23022188) is 2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide is O=C(CNc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1)NCCO.
What is the InChIKey of 2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide?
The InChIKey is MJSOHUCFJXHWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2F2N3O3/c23-17-9-16(28-11-20(31)27-5-6-30)10-18(24)22(17)29-12-13(1-4-21(29)32)7-14-2-3-15(25)8-19(14)26/h2-3,8-10,13,28,30H,1,4-7,11-12H2,(H,27,31).
What are the key properties of 2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide?
2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide has a molecular weight of 486.35 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 23022188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).