3-fluoro-N-(2-oxopiperidin-4-yl)benzamide

C12H13FN2O2 — CID 112534527

IUPAC3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
SMILESO=C1CC(NC(=O)c2cccc(F)c2)CCN1
InChIInChI=1S/C12H13FN2O2/c13-9-3-1-2-8(6-9)12(17)15-10-4-5-14-11(16)7-10/h1-3,6,10H,4-5,7H2,(H,14,16)(H,15,17)
InChIKeyLRMWOZMRMSCZHJ-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.83
Rot. Bonds2

About 3-fluoro-N-(2-oxopiperidin-4-yl)benzamide

3-fluoro-N-(2-oxopiperidin-4-yl)benzamide (PubChem CID 112534527) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-fluoro-N-(2-oxopiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
PubChem CID112534527
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
SMILESO=C1CC(NC(=O)c2cccc(F)c2)CCN1
InChIInChI=1S/C12H13FN2O2/c13-9-3-1-2-8(6-9)12(17)15-10-4-5-14-11(16)7-10/h1-3,6,10H,4-5,7H2,(H,14,16)(H,15,17)
InChIKeyLRMWOZMRMSCZHJ-UHFFFAOYSA-N
XLogP0.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-oxopiperidin-4-yl)benzamide
CID 112534523
N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
CID 18648125
3-cyano-N-(2-oxoazepan-4-yl)benzamide
CID 19090425
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
CID 71789109
3-cyano-N-[(3R)-5-oxopyrrolidin-3-yl]benzamide
CID 95985010
N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide
CID 18648131
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
3-fluoro-N-(thiolan-3-yl)benzamide
CID 126773687
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
CID 75280478

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-oxopiperidin-4-yl)benzamide?
The IUPAC name of 3-fluoro-N-(2-oxopiperidin-4-yl)benzamide (CID 112534527) is 3-fluoro-N-(2-oxopiperidin-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-oxopiperidin-4-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-oxopiperidin-4-yl)benzamide is O=C1CC(NC(=O)c2cccc(F)c2)CCN1.
What is the InChIKey of 3-fluoro-N-(2-oxopiperidin-4-yl)benzamide?
The InChIKey is LRMWOZMRMSCZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-9-3-1-2-8(6-9)12(17)15-10-4-5-14-11(16)7-10/h1-3,6,10H,4-5,7H2,(H,14,16)(H,15,17).
What are the key properties of 3-fluoro-N-(2-oxopiperidin-4-yl)benzamide?
3-fluoro-N-(2-oxopiperidin-4-yl)benzamide has a molecular weight of 236.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-oxopiperidin-4-yl)benzamide is sourced from PubChem (CID 112534527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).