N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

C19H20N2O2 — CID 16546688

IUPACN-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-13-5-3-6-14(2)18(13)20-19(23)15-8-10-16(11-9-15)21-12-4-7-17(21)22/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,20,23)
InChIKeyRTNKWZAERMIFDA-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.68
Rot. Bonds3

About N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 16546688) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID16546688
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-13-5-3-6-14(2)18(13)20-19(23)15-8-10-16(11-9-15)21-12-4-7-17(21)22/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,20,23)
InChIKeyRTNKWZAERMIFDA-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 16546688) is N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1cccc(C)c1NC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is RTNKWZAERMIFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-5-3-6-14(2)18(13)20-19(23)15-8-10-16(11-9-15)21-12-4-7-17(21)22/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,20,23).
What are the key properties of N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 308.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 16546688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).