2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide

C13H16ClFN2O2 — CID 70753664

IUPAC2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C13H16ClFN2O2/c14-10-6-9(15)2-1-8(10)5-13(19)17-11-3-4-16-7-12(11)18/h1-2,6,11-12,16,18H,3-5,7H2,(H,17,19)/t11-,12-/m1/s1
InChIKeyLJESZTXJWIZORO-VXGBXAGGSA-N
MW286.73 g/mol
LogP0.86
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide

2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide (PubChem CID 70753664) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
PubChem CID70753664
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C13H16ClFN2O2/c14-10-6-9(15)2-1-8(10)5-13(19)17-11-3-4-16-7-12(11)18/h1-2,6,11-12,16,18H,3-5,7H2,(H,17,19)/t11-,12-/m1/s1
InChIKeyLJESZTXJWIZORO-VXGBXAGGSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557960
1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562301
1-(2-chloro-4-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611204
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472
2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
CID 70722564
N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2-chloro-4-fluorophenyl)acetamide
CID 72839309
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride
CID 154897273
3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553265
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11623560
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653
1-benzyl-3-[(3R,4R)-3-hydroxypiperidin-4-yl]urea;hydrochloride
CID 154906200
2-(2-chloro-4-fluorophenyl)-N-(2,6-dioxopiperidin-1-yl)acetamide
CID 57222080

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide (CID 70753664) is 2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide is O=C(Cc1ccc(F)cc1Cl)N[C@@H]1CCNC[C@H]1O.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide?
The InChIKey is LJESZTXJWIZORO-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c14-10-6-9(15)2-1-8(10)5-13(19)17-11-3-4-16-7-12(11)18/h1-2,6,11-12,16,18H,3-5,7H2,(H,17,19)/t11-,12-/m1/s1.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide?
2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide has a molecular weight of 286.73 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide is sourced from PubChem (CID 70753664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).