N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide

C14H17ClN2O2 — CID 4120877

IUPACN-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1)N1CCCC1=O
InChIInChI=1S/C14H17ClN2O2/c1-2-12(17-9-3-4-13(17)18)14(19)16-11-7-5-10(15)6-8-11/h5-8,12H,2-4,9H2,1H3,(H,16,19)
InChIKeyCCLKERQBYMSHIN-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.68
Rot. Bonds4

About N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide

N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 4120877) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID4120877
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1)N1CCCC1=O
InChIInChI=1S/C14H17ClN2O2/c1-2-12(17-9-3-4-13(17)18)14(19)16-11-7-5-10(15)6-8-11/h5-8,12H,2-4,9H2,1H3,(H,16,19)
InChIKeyCCLKERQBYMSHIN-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide (CID 4120877) is N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide is CCC(C(=O)Nc1ccc(Cl)cc1)N1CCCC1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is CCLKERQBYMSHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-2-12(17-9-3-4-13(17)18)14(19)16-11-7-5-10(15)6-8-11/h5-8,12H,2-4,9H2,1H3,(H,16,19).
What are the key properties of N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 280.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 4120877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).