N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide

C13H15ClN2O2 — CID 168507034

IUPACN-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CC(CCl)CC2=O)cc1
InChIInChI=1S/C13H15ClN2O2/c1-9(17)15-11-2-4-12(5-3-11)16-8-10(7-14)6-13(16)18/h2-5,10H,6-8H2,1H3,(H,15,17)
InChIKeyCTNALUWNFOXEPM-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.24
Rot. Bonds3

About N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide

N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 168507034) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID168507034
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CC(CCl)CC2=O)cc1
InChIInChI=1S/C13H15ClN2O2/c1-9(17)15-11-2-4-12(5-3-11)16-8-10(7-14)6-13(16)18/h2-5,10H,6-8H2,1H3,(H,15,17)
InChIKeyCTNALUWNFOXEPM-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.24
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

tert-butyl N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168506913
N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 168507032
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-methylphenyl]acetamide
CID 168507030
methyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507353
N-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716951
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide
CID 168506970
4-(chloromethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one
CID 168508919
N-[4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylsulfamoyl]phenyl]acetamide
CID 16919601
N-[4-[(4S)-4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 27844701
4-(chloromethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one
CID 168507124
N-[4-[4-(4-ethylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 17120155

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide (CID 168507034) is N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2CC(CCl)CC2=O)cc1.
What is the InChIKey of N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is CTNALUWNFOXEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9(17)15-11-2-4-12(5-3-11)16-8-10(7-14)6-13(16)18/h2-5,10H,6-8H2,1H3,(H,15,17).
What are the key properties of N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 266.73 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 168507034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).