N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide

C23H22ClFN2O2S — CID 44526994

IUPACN-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C23H22ClFN2O2S/c24-21-13-19(26-23(28)17-1-3-18(25)4-2-17)5-6-22(21)29-20-7-10-27(11-8-20)14-16-9-12-30-15-16/h1-6,9,12-13,15,20H,7-8,10-11,14H2,(H,26,28)
InChIKeyVSPTVTGGLUMBSV-UHFFFAOYSA-N
MW444.96 g/mol
LogP5.84
Rot. Bonds6

About N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide

N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide (PubChem CID 44526994) has the molecular formula C23H22ClFN2O2S and a molecular weight of 444.96 g/mol. Its IUPAC name is N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide
PubChem CID44526994
Molecular FormulaC23H22ClFN2O2S
Molecular Weight444.96 g/mol
Exact Mass444.11
IUPAC NameN-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C23H22ClFN2O2S/c24-21-13-19(26-23(28)17-1-3-18(25)4-2-17)5-6-22(21)29-20-7-10-27(11-8-20)14-16-9-12-30-15-16/h1-6,9,12-13,15,20H,7-8,10-11,14H2,(H,26,28)
InChIKeyVSPTVTGGLUMBSV-UHFFFAOYSA-N
XLogP5.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.96
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-4-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 44526159
N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 44526136
N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526135
4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide
CID 174518113
N-[3-chloro-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526540
3-fluoro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxybenzamide
CID 143718334
N-(3-chloro-4-methoxyphenyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463914
N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide
CID 44526164
N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 175429025
N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide
CID 44526599
4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
CID 24952651
N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-methylphenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526153

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide (CID 44526994) is N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide is O=C(Nc1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide?
The InChIKey is VSPTVTGGLUMBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O2S/c24-21-13-19(26-23(28)17-1-3-18(25)4-2-17)5-6-22(21)29-20-7-10-27(11-8-20)14-16-9-12-30-15-16/h1-6,9,12-13,15,20H,7-8,10-11,14H2,(H,26,28).
What are the key properties of N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide?
N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide has a molecular weight of 444.96 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide is sourced from PubChem (CID 44526994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).