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

C18H19ClF3N3OS — CID 118289462

IUPAC2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
SMILESCc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCCC(F)(F)C1
InChIInChI=1S/C18H19ClF3N3OS/c1-11-16(27-10-24-11)14(25-7-3-6-18(21,22)9-25)8-23-17(26)15-12(19)4-2-5-13(15)20/h2,4-5,10,14H,3,6-9H2,1H3,(H,23,26)
InChIKeyZNNJYHWQIZJZNJ-UHFFFAOYSA-N
MW417.88 g/mol
LogP4.45
Rot. Bonds5

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

2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide (PubChem CID 118289462) has the molecular formula C18H19ClF3N3OS and a molecular weight of 417.88 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
PubChem CID118289462
Molecular FormulaC18H19ClF3N3OS
Molecular Weight417.88 g/mol
Exact Mass417.09
IUPAC Name2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
SMILESCc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCCC(F)(F)C1
InChIInChI=1S/C18H19ClF3N3OS/c1-11-16(27-10-24-11)14(25-7-3-6-18(21,22)9-25)8-23-17(26)15-12(19)4-2-5-13(15)20/h2,4-5,10,14H,3,6-9H2,1H3,(H,23,26)
InChIKeyZNNJYHWQIZJZNJ-UHFFFAOYSA-N
XLogP4.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.88
LogP ≤ 54.45
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
2-chloro-6-fluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7522100
2-chloro-6-fluoro-N-(2-{4-[(2-fluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)benzamide
CID 134303523
2-chloro-6-fluoro-N-(2-{4-[(4-fluorophenyl)methoxy]piperidin-1-yl]}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)benzamide
CID 134303606
2-chloro-N-(2-{4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)-6-fluorobenzamide
CID 134303648
2-chloro-6-fluoro-N-(2-{4-[(3-fluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)benzamide
CID 134303675
N-{2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-(trifluoromethyl)benzamide
CID 16028687
2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one
CID 45488933
N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide
CID 78318593
2-chloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-6-fluoro-benzamide
CID 118289459
2-chloro-6-fluoro-N(2-(morpholin-4-yl)-2-(thiazol-5-yl)-ethyl)benzamide
CID 118289465
N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
CID 118289466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide (CID 118289462) is 2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide is Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCCC(F)(F)C1.
What is the InChIKey of 2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide?
The InChIKey is ZNNJYHWQIZJZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3OS/c1-11-16(27-10-24-11)14(25-7-3-6-18(21,22)9-25)8-23-17(26)15-12(19)4-2-5-13(15)20/h2,4-5,10,14H,3,6-9H2,1H3,(H,23,26).
What are the key properties of 2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide has a molecular weight of 417.88 g/mol, XLogP of 4.45, 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-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 118289462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).