5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C13H14BrClN2O2 — CID 112683751

IUPAC5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H14BrClN2O2/c14-9-3-4-11(15)10(7-9)13(19)16-8-12(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H,16,19)
InChIKeyVIJQAGXBQYAWSX-UHFFFAOYSA-N
MW345.62 g/mol
LogP2.45
Rot. Bonds3

About 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 112683751) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID112683751
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H14BrClN2O2/c14-9-3-4-11(15)10(7-9)13(19)16-8-12(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H,16,19)
InChIKeyVIJQAGXBQYAWSX-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697
5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 110633453
5-bromo-2-chloro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110413932
3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113286153
5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
CID 79079697
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851
2-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712327
2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543359
5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 60651347

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 112683751) is 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCCC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is VIJQAGXBQYAWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c14-9-3-4-11(15)10(7-9)13(19)16-8-12(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H,16,19).
What are the key properties of 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 345.62 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 112683751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).