3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide

C20H22ClFN2O2 — CID 71124975

IUPAC3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide
SMILESCC(c1ccc(O)cc1)N1CCC(NC(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C20H22ClFN2O2/c1-13(14-2-5-17(25)6-3-14)24-10-8-16(9-11-24)23-20(26)15-4-7-19(22)18(21)12-15/h2-7,12-13,16,25H,8-11H2,1H3,(H,23,26)
InChIKeyHTMIKOPDABGPRH-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.14
Rot. Bonds4

About 3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide

3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide (PubChem CID 71124975) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide
PubChem CID71124975
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide
SMILESCC(c1ccc(O)cc1)N1CCC(NC(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C20H22ClFN2O2/c1-13(14-2-5-17(25)6-3-14)24-10-8-16(9-11-24)23-20(26)15-4-7-19(22)18(21)12-15/h2-7,12-13,16,25H,8-11H2,1H3,(H,23,26)
InChIKeyHTMIKOPDABGPRH-UHFFFAOYSA-N
XLogP4.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 51091043
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
CID 49437832
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
4-[1-[4-[(3-chloro-4-fluorobenzoyl)amino]piperidin-1-yl]ethyl]-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 71124952
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486
4-[1-[4-[(3-chloro-4-fluorobenzoyl)amino]piperidin-1-yl]ethyl]-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 143622689
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
N-[1-[(1R)-1-naphthalen-2-ylethyl]piperidin-4-yl]benzamide
CID 51966883
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide
CID 81422797
N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide
CID 138058182
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide (CID 71124975) is 3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide is CC(c1ccc(O)cc1)N1CCC(NC(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide?
The InChIKey is HTMIKOPDABGPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-13(14-2-5-17(25)6-3-14)24-10-8-16(9-11-24)23-20(26)15-4-7-19(22)18(21)12-15/h2-7,12-13,16,25H,8-11H2,1H3,(H,23,26).
What are the key properties of 3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide?
3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide has a molecular weight of 376.86 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 71124975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).