N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide

C13H14Cl2N2O2 — CID 168507032

IUPACN-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(N2CC(CCl)CC2=O)c1
InChIInChI=1S/C13H14Cl2N2O2/c1-8(18)16-10-2-3-11(15)12(5-10)17-7-9(6-14)4-13(17)19/h2-3,5,9H,4,6-7H2,1H3,(H,16,18)
InChIKeyWCYFAKHDKSRPKX-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.89
Rot. Bonds3

About N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide

N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 168507032) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID168507032
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC NameN-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(N2CC(CCl)CC2=O)c1
InChIInChI=1S/C13H14Cl2N2O2/c1-8(18)16-10-2-3-11(15)12(5-10)17-7-9(6-14)4-13(17)19/h2-3,5,9H,4,6-7H2,1H3,(H,16,18)
InChIKeyWCYFAKHDKSRPKX-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.89
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-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide
CID 168655979
N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 168701911
N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 168684027
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 168507034
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662051
1-(2-acetyl-4-chlorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507046
N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide
CID 23022193
5-acetamido-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoic acid
CID 168659205
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
1-(5-acetyl-2-bromophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507050
methyl 5-chloro-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507331

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide (CID 168507032) is N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(Cl)c(N2CC(CCl)CC2=O)c1.
What is the InChIKey of N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is WCYFAKHDKSRPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-8(18)16-10-2-3-11(15)12(5-10)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-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 301.17 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 168507032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).