2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C14H17BrN2O2 — CID 112990865

IUPAC2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(Cc1ccccc1Br)NCC(=O)N1CCCC1
InChIInChI=1S/C14H17BrN2O2/c15-12-6-2-1-5-11(12)9-13(18)16-10-14(19)17-7-3-4-8-17/h1-2,5-6H,3-4,7-10H2,(H,16,18)
InChIKeyHMJGMGWTRHCQPZ-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.73
Rot. Bonds4

About 2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 112990865) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID112990865
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(Cc1ccccc1Br)NCC(=O)N1CCCC1
InChIInChI=1S/C14H17BrN2O2/c15-12-6-2-1-5-11(12)9-13(18)16-10-14(19)17-7-3-4-8-17/h1-2,5-6H,3-4,7-10H2,(H,16,18)
InChIKeyHMJGMGWTRHCQPZ-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 112991009
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
2-(2-aminophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 115597732
N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964073
2-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712327
2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 112990956
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylacetamide
CID 47143342
2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 115678936
2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 51321713
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55437296

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 112990865) is 2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is O=C(Cc1ccccc1Br)NCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is HMJGMGWTRHCQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-12-6-2-1-5-11(12)9-13(18)16-10-14(19)17-7-3-4-8-17/h1-2,5-6H,3-4,7-10H2,(H,16,18).
What are the key properties of 2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 325.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 112990865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).