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

C14H16BrClN2O2 — CID 80979892

IUPAC4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H16BrClN2O2/c1-17(9-13(19)18-6-2-3-7-18)14(20)10-4-5-11(15)12(16)8-10/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyLPOWCLMEDHPZPY-UHFFFAOYSA-N
MW359.65 g/mol
LogP2.80
Rot. Bonds3

About 4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 80979892) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID80979892
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H16BrClN2O2/c1-17(9-13(19)18-6-2-3-7-18)14(20)10-4-5-11(15)12(16)8-10/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyLPOWCLMEDHPZPY-UHFFFAOYSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 60707021
4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454573
3-bromo-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454891
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 81295242
4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80975840
6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63979533
4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 80976268
3-bromo-2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 106547783
2-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805865
2-[(4-bromo-3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 103581539

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 80979892) is 4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is CN(CC(=O)N1CCCC1)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is LPOWCLMEDHPZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-17(9-13(19)18-6-2-3-7-18)14(20)10-4-5-11(15)12(16)8-10/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 359.65 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 80979892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).