(2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C20H18N2O4 — CID 94801265

IUPAC(2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C20H18N2O4/c23-18-6-3-7-19(24)22(18)15-10-8-14(9-11-15)21-20(25)17-12-13-4-1-2-5-16(13)26-17/h1-2,4-5,8-11,17H,3,6-7,12H2,(H,21,25)/t17-/m1/s1
InChIKeyWHLGOWWDBJVQGL-QGZVFWFLSA-N
MW350.37 g/mol
LogP2.67
Rot. Bonds3

About (2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 94801265) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID94801265
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C20H18N2O4/c23-18-6-3-7-19(24)22(18)15-10-8-14(9-11-15)21-20(25)17-12-13-4-1-2-5-16(13)26-17/h1-2,4-5,8-11,17H,3,6-7,12H2,(H,21,25)/t17-/m1/s1
InChIKeyWHLGOWWDBJVQGL-QGZVFWFLSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25337403
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 78671276
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074346
(2R)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51465606
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
(2R)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9076169
(2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9076172

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 94801265) is (2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is WHLGOWWDBJVQGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18-6-3-7-19(24)22(18)15-10-8-14(9-11-15)21-20(25)17-12-13-4-1-2-5-16(13)26-17/h1-2,4-5,8-11,17H,3,6-7,12H2,(H,21,25)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 94801265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).