2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide

C14H16ClFN2O3 — CID 97250942

IUPAC2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C14H16ClFN2O3/c15-11-6-8(16)5-10(13(11)20)14(21)18-4-2-1-3-9(18)7-12(17)19/h5-6,9,20H,1-4,7H2,(H2,17,19)/t9-/m1/s1
InChIKeyJLSXNABEHFAEQU-SECBINFHSA-N
MW314.74 g/mol
LogP2.05
Rot. Bonds3

About 2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide

2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide (PubChem CID 97250942) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is 2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide
PubChem CID97250942
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C14H16ClFN2O3/c15-11-6-8(16)5-10(13(11)20)14(21)18-4-2-1-3-9(18)7-12(17)19/h5-6,9,20H,1-4,7H2,(H2,17,19)/t9-/m1/s1
InChIKeyJLSXNABEHFAEQU-SECBINFHSA-N
XLogP2.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide
CID 95309748
2-[1-(2-chloro-5-piperidin-1-ylbenzoyl)piperidin-2-yl]acetamide
CID 135119763
[2-(bromomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 80658555
2-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371047
1-[1-(4-chloro-2,5-difluorobenzoyl)piperidin-2-yl]propan-2-one
CID 82772459
2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide
CID 91649837
[2-(aminomethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119468475
[2-(aminomethyl)piperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone;hydrochloride
CID 119466333
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
2-[(2R)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]piperidin-2-yl]acetamide
CID 95146650
1-[1-(5-chloro-2-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540783
[2-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299399

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide (CID 97250942) is 2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide is NC(=O)C[C@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1O.
What is the InChIKey of 2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide?
The InChIKey is JLSXNABEHFAEQU-SECBINFHSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c15-11-6-8(16)5-10(13(11)20)14(21)18-4-2-1-3-9(18)7-12(17)19/h5-6,9,20H,1-4,7H2,(H2,17,19)/t9-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide?
2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide has a molecular weight of 314.74 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide is sourced from PubChem (CID 97250942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).