4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride

C18H19Cl2FN2O2 — CID 119389286

IUPAC4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1ccc(Oc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C18H18ClFN2O2.ClH/c19-13-2-4-15(5-3-13)24-17-6-1-12(11-16(17)20)18(23)22-14-7-9-21-10-8-14;/h1-6,11,14,21H,7-10H2,(H,22,23);1H
InChIKeyKCMNUNBMBUWWFU-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.18
Rot. Bonds4

About 4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride

4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119389286) has the molecular formula C18H19Cl2FN2O2 and a molecular weight of 385.27 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119389286
Molecular FormulaC18H19Cl2FN2O2
Molecular Weight385.27 g/mol
Exact Mass384.08
IUPAC Name4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1ccc(Oc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C18H18ClFN2O2.ClH/c19-13-2-4-15(5-3-13)24-17-6-1-12(11-16(17)20)18(23)22-14-7-9-21-10-8-14;/h1-6,11,14,21H,7-10H2,(H,22,23);1H
InChIKeyKCMNUNBMBUWWFU-UHFFFAOYSA-N
XLogP4.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride
CID 119458494
4-(4-chlorophenoxy)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443707
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386400
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386862
3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol
CID 174859705
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide
CID 79725951

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride (CID 119389286) is 4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1ccc(Oc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is KCMNUNBMBUWWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2.ClH/c19-13-2-4-15(5-3-13)24-17-6-1-12(11-16(17)20)18(23)22-14-7-9-21-10-8-14;/h1-6,11,14,21H,7-10H2,(H,22,23);1H.
What are the key properties of 4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride?
4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 385.27 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119389286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).