N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide

C26H26ClFN2O2 — CID 2040641

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C26H26ClFN2O2/c27-23-17-22(11-12-24(23)28)29-25(31)18-30-15-13-21(14-16-30)26(32,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,21,32H,13-16,18H2,(H,29,31)
InChIKeyRUGGQYRNPPLJQA-UHFFFAOYSA-N
MW452.96 g/mol
LogP5.07
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide (PubChem CID 2040641) has the molecular formula C26H26ClFN2O2 and a molecular weight of 452.96 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide
PubChem CID2040641
Molecular FormulaC26H26ClFN2O2
Molecular Weight452.96 g/mol
Exact Mass452.17
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C26H26ClFN2O2/c27-23-17-22(11-12-24(23)28)29-25(31)18-30-15-13-21(14-16-30)26(32,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,21,32H,13-16,18H2,(H,29,31)
InChIKeyRUGGQYRNPPLJQA-UHFFFAOYSA-N
XLogP5.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.96
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
N-(3-chloro-4-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495307
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 981650
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502522
N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
CID 121116640
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 103576696
N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495502
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914724

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide (CID 2040641) is N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide is O=C(CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide?
The InChIKey is RUGGQYRNPPLJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN2O2/c27-23-17-22(11-12-24(23)28)29-25(31)18-30-15-13-21(14-16-30)26(32,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,21,32H,13-16,18H2,(H,29,31).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide has a molecular weight of 452.96 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 2040641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).