N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C19H17ClN2O3 — CID 100774842

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O3/c20-14-8-9-16(21-17(23)12-22-10-4-7-18(22)24)15(11-14)19(25)13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,21,23)
InChIKeyMJWRAPJCYBDUPY-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.13
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 100774842) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID100774842
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O3/c20-14-8-9-16(21-17(23)12-22-10-4-7-18(22)24)15(11-14)19(25)13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,21,23)
InChIKeyMJWRAPJCYBDUPY-UHFFFAOYSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 100774842) is N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is MJWRAPJCYBDUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c20-14-8-9-16(21-17(23)12-22-10-4-7-18(22)24)15(11-14)19(25)13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,21,23).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 356.81 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 100774842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).