2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide

C20H19Cl2F3N2O — CID 73442861

IUPAC2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCC(F)(F)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H19Cl2F3N2O/c21-16-3-1-2-15(18(16)22)19(28)26-12-17(13-4-6-14(23)7-5-13)27-10-8-20(24,25)9-11-27/h1-7,17H,8-12H2,(H,26,28)
InChIKeyASROAJWWBQODIW-UHFFFAOYSA-N
MW431.29 g/mol
LogP5.33
Rot. Bonds5

About 2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide

2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 73442861) has the molecular formula C20H19Cl2F3N2O and a molecular weight of 431.29 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide
PubChem CID73442861
Molecular FormulaC20H19Cl2F3N2O
Molecular Weight431.29 g/mol
Exact Mass430.08
IUPAC Name2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCC(F)(F)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H19Cl2F3N2O/c21-16-3-1-2-15(18(16)22)19(28)26-12-17(13-4-6-14(23)7-5-13)27-10-8-20(24,25)9-11-27/h1-7,17H,8-12H2,(H,26,28)
InChIKeyASROAJWWBQODIW-UHFFFAOYSA-N
XLogP5.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide (CID 73442861) is 2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide is O=C(NCC(c1ccc(F)cc1)N1CCC(F)(F)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is ASROAJWWBQODIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F3N2O/c21-16-3-1-2-15(18(16)22)19(28)26-12-17(13-4-6-14(23)7-5-13)27-10-8-20(24,25)9-11-27/h1-7,17H,8-12H2,(H,26,28).
What are the key properties of 2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide?
2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 431.29 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 73442861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).