2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide

C14H16Cl2N2O2 — CID 10267787

IUPAC2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(c2ccc(Cl)c(Cl)c2)CC1=O
InChIInChI=1S/C14H16Cl2N2O2/c1-2-12(14(17)20)18-7-9(6-13(18)19)8-3-4-10(15)11(16)5-8/h3-5,9,12H,2,6-7H2,1H3,(H2,17,20)
InChIKeyPPDKREUWZVYRDT-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.57
Rot. Bonds4

About 2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide

2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 10267787) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID10267787
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(c2ccc(Cl)c(Cl)c2)CC1=O
InChIInChI=1S/C14H16Cl2N2O2/c1-2-12(14(17)20)18-7-9(6-13(18)19)8-3-4-10(15)11(16)5-8/h3-5,9,12H,2,6-7H2,1H3,(H2,17,20)
InChIKeyPPDKREUWZVYRDT-UHFFFAOYSA-N
XLogP2.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide (CID 10267787) is 2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CC(c2ccc(Cl)c(Cl)c2)CC1=O.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is PPDKREUWZVYRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-2-12(14(17)20)18-7-9(6-13(18)19)8-3-4-10(15)11(16)5-8/h3-5,9,12H,2,6-7H2,1H3,(H2,17,20).
What are the key properties of 2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide?
2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 315.20 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 10267787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).