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N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide

C24H26ClN3O4 — CID 143638026

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide
SMILESCCCC(C(=O)NC(C)=O)N1Cc2cc(CNC(=O)Cc3ccc(Cl)cc3)ccc2C1=O
InChIInChI=1S/C24H26ClN3O4/c1-3-4-21(23(31)27-15(2)29)28-14-18-11-17(7-10-20(18)24(28)32)13-26-22(30)12-16-5-8-19(25)9-6-16/h5-11,21H,3-4,12-14H2,1-2H3,(H,26,30)(H,27,29,31)
InChIKeyXVSMFBXKVMBDJV-UHFFFAOYSA-N
MW455.94 g/mol
LogP2.99
Rot. Bonds8

About N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide

N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide (PubChem CID 143638026) has the molecular formula C24H26ClN3O4 and a molecular weight of 455.94 g/mol. Its IUPAC name is N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide.

Molecular Properties

Compound NameN-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide
PubChem CID143638026
Molecular FormulaC24H26ClN3O4
Molecular Weight455.94 g/mol
Exact Mass455.16
IUPAC NameN-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide
SMILESCCCC(C(=O)NC(C)=O)N1Cc2cc(CNC(=O)Cc3ccc(Cl)cc3)ccc2C1=O
InChIInChI=1S/C24H26ClN3O4/c1-3-4-21(23(31)27-15(2)29)28-14-18-11-17(7-10-20(18)24(28)32)13-26-22(30)12-16-5-8-19(25)9-6-16/h5-11,21H,3-4,12-14H2,1-2H3,(H,26,30)(H,27,29,31)
InChIKeyXVSMFBXKVMBDJV-UHFFFAOYSA-N
XLogP2.99
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide?
The IUPAC name of N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide (CID 143638026) is N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide.
What is the SMILES notation for N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide?
The canonical SMILES for N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide is CCCC(C(=O)NC(C)=O)N1Cc2cc(CNC(=O)Cc3ccc(Cl)cc3)ccc2C1=O.
What is the InChIKey of N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide?
The InChIKey is XVSMFBXKVMBDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4/c1-3-4-21(23(31)27-15(2)29)28-14-18-11-17(7-10-20(18)24(28)32)13-26-22(30)12-16-5-8-19(25)9-6-16/h5-11,21H,3-4,12-14H2,1-2H3,(H,26,30)(H,27,29,31).
What are the key properties of N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide?
N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide has a molecular weight of 455.94 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-[6-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]pentanamide is sourced from PubChem (CID 143638026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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