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

C13H14BrClN2O2 — CID 113286153

IUPAC3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H14BrClN2O2/c14-10-5-9(6-11(15)7-10)13(19)16-8-12(18)17-3-1-2-4-17/h5-7H,1-4,8H2,(H,16,19)
InChIKeyNLHDEYKCFAQLHL-UHFFFAOYSA-N
MW345.62 g/mol
LogP2.45
Rot. Bonds3

About 3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 113286153) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID113286153
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H14BrClN2O2/c14-10-5-9(6-11(15)7-10)13(19)16-8-12(18)17-3-1-2-4-17/h5-7H,1-4,8H2,(H,16,19)
InChIKeyNLHDEYKCFAQLHL-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

3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112683751
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61175305
3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103826722
2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673
4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687414
2-(4-bromo-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 28993380
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26500774

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 113286153) is 3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCCC1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is NLHDEYKCFAQLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c14-10-5-9(6-11(15)7-10)13(19)16-8-12(18)17-3-1-2-4-17/h5-7H,1-4,8H2,(H,16,19).
What are the key properties of 3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
3-bromo-5-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 3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 113286153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).