2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide

C18H19ClF3N3O2 — CID 118289485

IUPAC2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide
SMILESCc1ncoc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(F)(F)CC1
InChIInChI=1S/C18H19ClF3N3O2/c1-11-16(27-10-24-11)14(25-7-5-18(21,22)6-8-25)9-23-17(26)15-12(19)3-2-4-13(15)20/h2-4,10,14H,5-9H2,1H3,(H,23,26)
InChIKeyWKQHGTKGYIKDDD-UHFFFAOYSA-N
MW401.82 g/mol
LogP3.98
Rot. Bonds5

About 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide

2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide (PubChem CID 118289485) has the molecular formula C18H19ClF3N3O2 and a molecular weight of 401.82 g/mol. Its IUPAC name is 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide
PubChem CID118289485
Molecular FormulaC18H19ClF3N3O2
Molecular Weight401.82 g/mol
Exact Mass401.11
IUPAC Name2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide
SMILESCc1ncoc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(F)(F)CC1
InChIInChI=1S/C18H19ClF3N3O2/c1-11-16(27-10-24-11)14(25-7-5-18(21,22)6-8-25)9-23-17(26)15-12(19)3-2-4-13(15)20/h2-4,10,14H,5-9H2,1H3,(H,23,26)
InChIKeyWKQHGTKGYIKDDD-UHFFFAOYSA-N
XLogP3.98
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.82
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide (CID 118289485) is 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide is Cc1ncoc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(F)(F)CC1.
What is the InChIKey of 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide?
The InChIKey is WKQHGTKGYIKDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O2/c1-11-16(27-10-24-11)14(25-7-5-18(21,22)6-8-25)9-23-17(26)15-12(19)3-2-4-13(15)20/h2-4,10,14H,5-9H2,1H3,(H,23,26).
What are the key properties of 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide has a molecular weight of 401.82 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 118289485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).