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

C14H15ClN2O2 — CID 168684027

IUPACN-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESC=CC1CC(=O)N(c2cc(NC(C)=O)ccc2Cl)C1
InChIInChI=1S/C14H15ClN2O2/c1-3-10-6-14(19)17(8-10)13-7-11(16-9(2)18)4-5-12(13)15/h3-5,7,10H,1,6,8H2,2H3,(H,16,18)
InChIKeyMSGDXCLEEHEWOV-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.84
Rot. Bonds3

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

N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 168684027) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID168684027
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC NameN-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESC=CC1CC(=O)N(c2cc(NC(C)=O)ccc2Cl)C1
InChIInChI=1S/C14H15ClN2O2/c1-3-10-6-14(19)17(8-10)13-7-11(16-9(2)18)4-5-12(13)15/h3-5,7,10H,1,6,8H2,2H3,(H,16,18)
InChIKeyMSGDXCLEEHEWOV-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 168701911
N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 168507032
N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide
CID 168655979
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide
CID 168684034
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685740
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686018
4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
CID 168685589
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685609
1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685956

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 168684027) is N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide is C=CC1CC(=O)N(c2cc(NC(C)=O)ccc2Cl)C1.
What is the InChIKey of N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is MSGDXCLEEHEWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-3-10-6-14(19)17(8-10)13-7-11(16-9(2)18)4-5-12(13)15/h3-5,7,10H,1,6,8H2,2H3,(H,16,18).
What are the key properties of N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 278.74 g/mol, XLogP of 2.84, 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-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 168684027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).