N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide

C13H14BrClN2O2 — CID 168503717

IUPACN-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CC(CBr)CC2=O)cc1Cl
InChIInChI=1S/C13H14BrClN2O2/c1-8(18)16-12-3-2-10(5-11(12)15)17-7-9(6-14)4-13(17)19/h2-3,5,9H,4,6-7H2,1H3,(H,16,18)
InChIKeyMRLOWNKPNSGGOL-UHFFFAOYSA-N
MW345.62 g/mol
LogP3.05
Rot. Bonds3

About N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide

N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide (PubChem CID 168503717) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
PubChem CID168503717
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC NameN-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CC(CBr)CC2=O)cc1Cl
InChIInChI=1S/C13H14BrClN2O2/c1-8(18)16-12-3-2-10(5-11(12)15)17-7-9(6-14)4-13(17)19/h2-3,5,9H,4,6-7H2,1H3,(H,16,18)
InChIKeyMRLOWNKPNSGGOL-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide
CID 168503718
N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
CID 168655984
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690528
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696123
4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chloro-N-methylbenzamide
CID 168503973
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-methylphenyl]acetamide
CID 168507030
N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide
CID 168659212
4-(bromomethyl)-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168504407
4-(bromomethyl)-1-(3,5-dichloro-4-fluorophenyl)pyrrolidin-2-one
CID 168505634
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 168507034
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
S-[[1-(3-bromo-4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668139

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide (CID 168503717) is N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(N2CC(CBr)CC2=O)cc1Cl.
What is the InChIKey of N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide?
The InChIKey is MRLOWNKPNSGGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c1-8(18)16-12-3-2-10(5-11(12)15)17-7-9(6-14)4-13(17)19/h2-3,5,9H,4,6-7H2,1H3,(H,16,18).
What are the key properties of N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide?
N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide has a molecular weight of 345.62 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide is sourced from PubChem (CID 168503717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).