4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride

C22H22Cl2FN3OS — CID 68805884

IUPAC4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride
SMILESCl.O=C(c1ccc(Cl)cc1)N(Cc1csc(N2CCCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C22H21ClFN3OS.ClH/c23-17-6-4-16(5-7-17)21(28)27(20-10-8-18(24)9-11-20)14-19-15-29-22(25-19)26-12-2-1-3-13-26;/h4-11,15H,1-3,12-14H2;1H
InChIKeyYTRRNFVEFHFLHW-UHFFFAOYSA-N
MW466.41 g/mol
LogP6.19
Rot. Bonds5

About 4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride

4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride (PubChem CID 68805884) has the molecular formula C22H22Cl2FN3OS and a molecular weight of 466.41 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride
PubChem CID68805884
Molecular FormulaC22H22Cl2FN3OS
Molecular Weight466.41 g/mol
Exact Mass465.08
IUPAC Name4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride
SMILESCl.O=C(c1ccc(Cl)cc1)N(Cc1csc(N2CCCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C22H21ClFN3OS.ClH/c23-17-6-4-16(5-7-17)21(28)27(20-10-8-18(24)9-11-20)14-19-15-29-22(25-19)26-12-2-1-3-13-26;/h4-11,15H,1-3,12-14H2;1H
InChIKeyYTRRNFVEFHFLHW-UHFFFAOYSA-N
XLogP6.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.41
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride (CID 68805884) is 4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride is Cl.O=C(c1ccc(Cl)cc1)N(Cc1csc(N2CCCCC2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride?
The InChIKey is YTRRNFVEFHFLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3OS.ClH/c23-17-6-4-16(5-7-17)21(28)27(20-10-8-18(24)9-11-20)14-19-15-29-22(25-19)26-12-2-1-3-13-26;/h4-11,15H,1-3,12-14H2;1H.
What are the key properties of 4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride?
4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride has a molecular weight of 466.41 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 68805884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).