2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide

C25H26ClF2N3O2S — CID 134303606

IUPAC2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2ccc(F)cc2)CC1
InChIInChI=1S/C25H26ClF2N3O2S/c1-16-24(34-15-30-16)22(13-29-25(32)23-20(26)3-2-4-21(23)28)31-11-9-19(10-12-31)33-14-17-5-7-18(27)8-6-17/h2-8,15,19,22H,9-14H2,1H3,(H,29,32)
InChIKeyFFDIXSSLNPIQTO-UHFFFAOYSA-N
MW506.02 g/mol
LogP5.54
Rot. Bonds8

About 2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 134303606) has the molecular formula C25H26ClF2N3O2S and a molecular weight of 506.02 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID134303606
Molecular FormulaC25H26ClF2N3O2S
Molecular Weight506.02 g/mol
Exact Mass505.14
IUPAC Name2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2ccc(F)cc2)CC1
InChIInChI=1S/C25H26ClF2N3O2S/c1-16-24(34-15-30-16)22(13-29-25(32)23-20(26)3-2-4-21(23)28)31-11-9-19(10-12-31)33-14-17-5-7-18(27)8-6-17/h2-8,15,19,22H,9-14H2,1H3,(H,29,32)
InChIKeyFFDIXSSLNPIQTO-UHFFFAOYSA-N
XLogP5.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.02
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 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) is 2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(OCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is FFDIXSSLNPIQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF2N3O2S/c1-16-24(34-15-30-16)22(13-29-25(32)23-20(26)3-2-4-21(23)28)31-11-9-19(10-12-31)33-14-17-5-7-18(27)8-6-17/h2-8,15,19,22H,9-14H2,1H3,(H,29,32).
What are the key properties of 2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 506.02 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 134303606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).