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

C21H23ClF3N3OS — CID 118303003

IUPAC2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NCC(c1cnc(C2CCC2)s1)N1CCC(F)(F)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C21H23ClF3N3OS/c22-14-5-2-6-15(23)18(14)19(29)26-11-16(28-9-7-21(24,25)8-10-28)17-12-27-20(30-17)13-3-1-4-13/h2,5-6,12-13,16H,1,3-4,7-11H2,(H,26,29)
InChIKeyPIZUOROONIULFV-UHFFFAOYSA-N
MW457.95 g/mol
LogP5.41
Rot. Bonds6

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

2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide (PubChem CID 118303003) has the molecular formula C21H23ClF3N3OS and a molecular weight of 457.95 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide
PubChem CID118303003
Molecular FormulaC21H23ClF3N3OS
Molecular Weight457.95 g/mol
Exact Mass457.12
IUPAC Name2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NCC(c1cnc(C2CCC2)s1)N1CCC(F)(F)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C21H23ClF3N3OS/c22-14-5-2-6-15(23)18(14)19(29)26-11-16(28-9-7-21(24,25)8-10-28)17-12-27-20(30-17)13-3-1-4-13/h2,5-6,12-13,16H,1,3-4,7-11H2,(H,26,29)
InChIKeyPIZUOROONIULFV-UHFFFAOYSA-N
XLogP5.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.95
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-6-methylbenzamide
CID 91827420
2-chloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-6-fluoro-benzamide
CID 118289459
2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289462
2-chloro-6-fluoro-N(2-(morpholin-4-yl)-2-(thiazol-5-yl)-ethyl)benzamide
CID 118289465
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289469
2-chloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(1,3-thiazol-2-yl)-ethyl]-6-fluoro-benzamide
CID 118289474
N-{2-[4-(benzyloxy)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethyl}-2-chloro-6-fluorobenzamide
CID 118289482
2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)-ethyl]-6-fluoro-benzamide
CID 118289483
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzamide
CID 118289486
5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 118289495
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289497
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(morpholin-4-yl)ethyl]benzamide
CID 118289505

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide (CID 118303003) is 2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide is O=C(NCC(c1cnc(C2CCC2)s1)N1CCC(F)(F)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide?
The InChIKey is PIZUOROONIULFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N3OS/c22-14-5-2-6-15(23)18(14)19(29)26-11-16(28-9-7-21(24,25)8-10-28)17-12-27-20(30-17)13-3-1-4-13/h2,5-6,12-13,16H,1,3-4,7-11H2,(H,26,29).
What are the key properties of 2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide has a molecular weight of 457.95 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 118303003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).