5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide

C22H19ClN2O4 — CID 41062159

IUPAC5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide
SMILESCC[C@@]1(c2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C22H19ClN2O4/c1-2-22(10-9-19(26)25-21(22)28)14-3-6-16(7-4-14)24-20(27)18-12-13-11-15(23)5-8-17(13)29-18/h3-8,11-12H,2,9-10H2,1H3,(H,24,27)(H,25,26,28)/t22-/m0/s1
InChIKeyZZSMDPZGOQYHOF-QFIPXVFZSA-N
MW410.86 g/mol
LogP4.42
Rot. Bonds4

About 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide

5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 41062159) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID41062159
Molecular FormulaC22H19ClN2O4
Molecular Weight410.86 g/mol
Exact Mass410.10
IUPAC Name5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide
SMILESCC[C@@]1(c2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C22H19ClN2O4/c1-2-22(10-9-19(26)25-21(22)28)14-3-6-16(7-4-14)24-20(27)18-12-13-11-15(23)5-8-17(13)29-18/h3-8,11-12H,2,9-10H2,1H3,(H,24,27)(H,25,26,28)/t22-/m0/s1
InChIKeyZZSMDPZGOQYHOF-QFIPXVFZSA-N
XLogP4.42
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide (CID 41062159) is 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide is CC[C@@]1(c2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)CCC(=O)NC1=O.
What is the InChIKey of 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZZSMDPZGOQYHOF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c1-2-22(10-9-19(26)25-21(22)28)14-3-6-16(7-4-14)24-20(27)18-12-13-11-15(23)5-8-17(13)29-18/h3-8,11-12H,2,9-10H2,1H3,(H,24,27)(H,25,26,28)/t22-/m0/s1.
What are the key properties of 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 41062159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).