2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide

C14H16BrFN2O2 — CID 95309748

IUPAC2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H16BrFN2O2/c15-12-5-4-9(16)7-11(12)14(20)18-6-2-1-3-10(18)8-13(17)19/h4-5,7,10H,1-3,6,8H2,(H2,17,19)/t10-/m1/s1
InChIKeyCXMUYEKXPDJRPH-SNVBAGLBSA-N
MW343.20 g/mol
LogP2.46
Rot. Bonds3

About 2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide

2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide (PubChem CID 95309748) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide
PubChem CID95309748
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H16BrFN2O2/c15-12-5-4-9(16)7-11(12)14(20)18-6-2-1-3-10(18)8-13(17)19/h4-5,7,10H,1-3,6,8H2,(H2,17,19)/t10-/m1/s1
InChIKeyCXMUYEKXPDJRPH-SNVBAGLBSA-N
XLogP2.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421295
1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041668
(2-bromo-5-fluorophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62888810
(2-bromo-5-fluorophenyl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569856
2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide
CID 97250942
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119468080
1-(2-bromo-5-fluorobenzoyl)azepane-2-carboxylic acid
CID 64559146
1-[1-(5-fluoro-2-methylbenzoyl)azepan-2-yl]propan-2-one
CID 79541273
1-[1-(2-bromo-5-methylbenzoyl)azepan-2-yl]propan-2-one
CID 81109449
(2R,3R)-1-(2-bromo-5-fluorobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115089
[2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114374400
(2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 55168737

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide (CID 95309748) is 2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide is NC(=O)C[C@H]1CCCCN1C(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide?
The InChIKey is CXMUYEKXPDJRPH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c15-12-5-4-9(16)7-11(12)14(20)18-6-2-1-3-10(18)8-13(17)19/h4-5,7,10H,1-3,6,8H2,(H2,17,19)/t10-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide?
2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide has a molecular weight of 343.20 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide is sourced from PubChem (CID 95309748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).