N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

C19H20N2O2 — CID 27256400

IUPACN-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C19H20N2O2/c1-2-14-5-3-6-16(13-14)20-19(23)15-8-10-17(11-9-15)21-12-4-7-18(21)22/h3,5-6,8-11,13H,2,4,7,12H2,1H3,(H,20,23)
InChIKeyDFSMTFZOCXVFTG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.63
Rot. Bonds4

About N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 27256400) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID27256400
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C19H20N2O2/c1-2-14-5-3-6-16(13-14)20-19(23)15-8-10-17(11-9-15)21-12-4-7-18(21)22/h3,5-6,8-11,13H,2,4,7,12H2,1H3,(H,20,23)
InChIKeyDFSMTFZOCXVFTG-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 27256400) is N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is CCc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is DFSMTFZOCXVFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-14-5-3-6-16(13-14)20-19(23)15-8-10-17(11-9-15)21-12-4-7-18(21)22/h3,5-6,8-11,13H,2,4,7,12H2,1H3,(H,20,23).
What are the key properties of N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 308.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 27256400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).