4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C21H20N2O3 — CID 2683079

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C21H20N2O3/c24-19-12-13-20(25)23(19)16-10-8-15(9-11-16)21(26)22-18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,18H,3,5,7,12-13H2,(H,22,26)/t18-/m1/s1
InChIKeyPCQZIZFMONACDQ-GOSISDBHSA-N
MW348.40 g/mol
LogP3.15
Rot. Bonds3

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 2683079) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID2683079
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C21H20N2O3/c24-19-12-13-20(25)23(19)16-10-8-15(9-11-16)21(26)22-18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,18H,3,5,7,12-13H2,(H,22,26)/t18-/m1/s1
InChIKeyPCQZIZFMONACDQ-GOSISDBHSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-piperidin-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679213
4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679214
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119263397
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7688434
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745572
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46642561
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 2683079) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is O=C(N[C@@H]1CCCc2ccccc21)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is PCQZIZFMONACDQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-19-12-13-20(25)23(19)16-10-8-15(9-11-16)21(26)22-18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,18H,3,5,7,12-13H2,(H,22,26)/t18-/m1/s1.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 348.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 2683079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).