3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide

C12H12ClFN2O2 — CID 81434409

IUPAC3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2ccc(F)c(Cl)c2)CN1
InChIInChI=1S/C12H12ClFN2O2/c13-9-5-7(1-3-10(9)14)12(18)16-8-2-4-11(17)15-6-8/h1,3,5,8H,2,4,6H2,(H,15,17)(H,16,18)
InChIKeyBSBRDJLDRJEBNJ-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.49
Rot. Bonds2

About 3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide

3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 81434409) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID81434409
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2ccc(F)c(Cl)c2)CN1
InChIInChI=1S/C12H12ClFN2O2/c13-9-5-7(1-3-10(9)14)12(18)16-8-2-4-11(17)15-6-8/h1,3,5,8H,2,4,6H2,(H,15,17)(H,16,18)
InChIKeyBSBRDJLDRJEBNJ-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62897928
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide
CID 62489932
5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 55210131
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490404
4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide
CID 164877854

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide (CID 81434409) is 3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide is O=C1CCC(NC(=O)c2ccc(F)c(Cl)c2)CN1.
What is the InChIKey of 3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is BSBRDJLDRJEBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c13-9-5-7(1-3-10(9)14)12(18)16-8-2-4-11(17)15-6-8/h1,3,5,8H,2,4,6H2,(H,15,17)(H,16,18).
What are the key properties of 3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide?
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 270.69 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 81434409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).