2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide

C15H19FN2O3 — CID 43421664

IUPAC2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCCC1CO)c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c16-13-7-2-1-6-12(13)15(21)17-9-14(20)18-8-4-3-5-11(18)10-19/h1-2,6-7,11,19H,3-5,8-10H2,(H,17,21)
InChIKeyWISWBIZEDICUHF-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.93
Rot. Bonds4

About 2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide

2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 43421664) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID43421664
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCCC1CO)c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c16-13-7-2-1-6-12(13)15(21)17-9-14(20)18-8-4-3-5-11(18)10-19/h1-2,6-7,11,19H,3-5,8-10H2,(H,17,21)
InChIKeyWISWBIZEDICUHF-UHFFFAOYSA-N
XLogP0.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411188
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide
CID 112768344
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 99609425
2-(2-fluorophenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636221
N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 136523994
2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide
CID 75501739
tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 86848385
4-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411306
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea
CID 66260760
N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide
CID 106671856
3-fluoro-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]benzoic acid
CID 81497850
5-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 61408960

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 43421664) is 2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCCCC1CO)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is WISWBIZEDICUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-7-2-1-6-12(13)15(21)17-9-14(20)18-8-4-3-5-11(18)10-19/h1-2,6-7,11,19H,3-5,8-10H2,(H,17,21).
What are the key properties of 2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 294.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 43421664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).