N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide

C25H19ClN2O3 — CID 55778666

IUPACN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C25H19ClN2O3/c26-21-14-18(27-23(29)13-15-8-9-16-4-3-5-17(16)12-15)10-11-22(21)28-24(30)19-6-1-2-7-20(19)25(28)31/h1-2,6-12,14H,3-5,13H2,(H,27,29)
InChIKeyHZKFACFAQXWYLV-UHFFFAOYSA-N
MW430.89 g/mol
LogP4.81
Rot. Bonds4

About N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 55778666) has the molecular formula C25H19ClN2O3 and a molecular weight of 430.89 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID55778666
Molecular FormulaC25H19ClN2O3
Molecular Weight430.89 g/mol
Exact Mass430.11
IUPAC NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C25H19ClN2O3/c26-21-14-18(27-23(29)13-15-8-9-16-4-3-5-17(16)12-15)10-11-22(21)28-24(30)19-6-1-2-7-20(19)25(28)31/h1-2,6-12,14H,3-5,13H2,(H,27,29)
InChIKeyHZKFACFAQXWYLV-UHFFFAOYSA-N
XLogP4.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 54.81
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

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 55726255
N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 142663321
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55763362
N-(2,3-dihydro-1H-inden-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2634511
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 3380579
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-ethylfuran-2-carboxamide
CID 122193161
2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 55674540
2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide
CID 55805274
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55726196
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-methylsulfonylfuran-2-carboxamide
CID 122193167

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 55778666) is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide is O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is HZKFACFAQXWYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O3/c26-21-14-18(27-23(29)13-15-8-9-16-4-3-5-17(16)12-15)10-11-22(21)28-24(30)19-6-1-2-7-20(19)25(28)31/h1-2,6-12,14H,3-5,13H2,(H,27,29).
What are the key properties of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 430.89 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 55778666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).