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

C19H21ClF3N3OS — CID 118303052

IUPAC2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
SMILESCCc1ncc(C(CNC(=O)c2c(F)cccc2Cl)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C19H21ClF3N3OS/c1-2-16-24-11-15(28-16)14(26-8-6-19(22,23)7-9-26)10-25-18(27)17-12(20)4-3-5-13(17)21/h3-5,11,14H,2,6-10H2,1H3,(H,25,27)
InChIKeyQJBMWIDOXHVVMO-UHFFFAOYSA-N
MW431.91 g/mol
LogP4.70
Rot. Bonds6

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

2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide (PubChem CID 118303052) has the molecular formula C19H21ClF3N3OS and a molecular weight of 431.91 g/mol. Its IUPAC name is 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
PubChem CID118303052
Molecular FormulaC19H21ClF3N3OS
Molecular Weight431.91 g/mol
Exact Mass431.10
IUPAC Name2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
SMILESCCc1ncc(C(CNC(=O)c2c(F)cccc2Cl)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C19H21ClF3N3OS/c1-2-16-24-11-15(28-16)14(26-8-6-19(22,23)7-9-26)10-25-18(27)17-12(20)4-3-5-13(17)21/h3-5,11,14H,2,6-10H2,1H3,(H,25,27)
InChIKeyQJBMWIDOXHVVMO-UHFFFAOYSA-N
XLogP4.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-6-methylbenzamide
CID 91827420
US10710967, Example 43
CID 155883267
N-(3,4-difluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192186
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide (CID 118303052) is 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide is CCc1ncc(C(CNC(=O)c2c(F)cccc2Cl)N2CCC(F)(F)CC2)s1.
What is the InChIKey of 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide?
The InChIKey is QJBMWIDOXHVVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3OS/c1-2-16-24-11-15(28-16)14(26-8-6-19(22,23)7-9-26)10-25-18(27)17-12(20)4-3-5-13(17)21/h3-5,11,14H,2,6-10H2,1H3,(H,25,27).
What are the key properties of 2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide has a molecular weight of 431.91 g/mol, XLogP of 4.70, 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-(4,4-difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 118303052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).