N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide

C23H16Cl2N2O3 — CID 150433084

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H16Cl2N2O3/c24-18-8-6-15(10-19(18)25)13-27-20-9-7-16(12-17(20)22(29)23(27)30)26-21(28)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,26,28)
InChIKeyHKELWKFUKZSEAM-UHFFFAOYSA-N
MW439.30 g/mol
LogP4.90
Rot. Bonds5

About N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide

N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide (PubChem CID 150433084) has the molecular formula C23H16Cl2N2O3 and a molecular weight of 439.30 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide
PubChem CID150433084
Molecular FormulaC23H16Cl2N2O3
Molecular Weight439.30 g/mol
Exact Mass438.05
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H16Cl2N2O3/c24-18-8-6-15(10-19(18)25)13-27-20-9-7-16(12-17(20)22(29)23(27)30)26-21(28)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,26,28)
InChIKeyHKELWKFUKZSEAM-UHFFFAOYSA-N
XLogP4.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.30
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide (CID 150433084) is N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide?
The InChIKey is HKELWKFUKZSEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O3/c24-18-8-6-15(10-19(18)25)13-27-20-9-7-16(12-17(20)22(29)23(27)30)26-21(28)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,26,28).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide?
N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide has a molecular weight of 439.30 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 150433084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).