2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide

C13H15ClN2O2 — CID 659699

IUPAC2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CC(c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C13H15ClN2O2/c1-8(13(15)18)16-7-10(6-12(16)17)9-2-4-11(14)5-3-9/h2-5,8,10H,6-7H2,1H3,(H2,15,18)
InChIKeyJLAKYJQAMHVDBY-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.53
Rot. Bonds3

About 2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide

2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide (PubChem CID 659699) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide
PubChem CID659699
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CC(c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C13H15ClN2O2/c1-8(13(15)18)16-7-10(6-12(16)17)9-2-4-11(14)5-3-9/h2-5,8,10H,6-7H2,1H3,(H2,15,18)
InChIKeyJLAKYJQAMHVDBY-UHFFFAOYSA-N
XLogP1.53
TPSA63.40 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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide (CID 659699) is 2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide is CC(C(N)=O)N1CC(c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide?
The InChIKey is JLAKYJQAMHVDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8(13(15)18)16-7-10(6-12(16)17)9-2-4-11(14)5-3-9/h2-5,8,10H,6-7H2,1H3,(H2,15,18).
What are the key properties of 2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide?
2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide has a molecular weight of 266.73 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 659699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).