2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

C14H16Cl2N2O2 — CID 5195773

IUPAC2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c15-10-4-5-11(12(16)8-10)14(20)17-9-13(19)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9H2,(H,17,20)
InChIKeyBJFUTKFMYGTTTC-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.74
Rot. Bonds3

About 2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (PubChem CID 5195773) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
PubChem CID5195773
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c15-10-4-5-11(12(16)8-10)14(20)17-9-13(19)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9H2,(H,17,20)
InChIKeyBJFUTKFMYGTTTC-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Moclobemide
CID 4235
N-butyl-2-chlorobenzamide
CID 347041
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, hydrochloride (1:1)
CID 11243536
N-benzyl-4-chlorobenzamide
CID 346668
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
PNU-282987 free base
CID 9795278
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
1-(3-Chlorobenzoyl)piperazine
CID 1074765
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
N-Benzyl-2-chloro-benzamide
CID 347073
Benurestat
CID 38000

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (CID 5195773) is 2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The InChIKey is BJFUTKFMYGTTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-10-4-5-11(12(16)8-10)14(20)17-9-13(19)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9H2,(H,17,20).
What are the key properties of 2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide has a molecular weight of 315.20 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 5195773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).