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

C22H14Cl2N2O3 — CID 151615815

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H14Cl2N2O3/c23-17-8-6-13(10-18(17)24)12-26-19-9-7-15(11-16(19)20(27)22(26)29)25-21(28)14-4-2-1-3-5-14/h1-11H,12H2,(H,25,28)
InChIKeyQNLVLSRQIIOFJV-UHFFFAOYSA-N
MW425.27 g/mol
LogP4.98
Rot. Bonds4

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

N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide (PubChem CID 151615815) has the molecular formula C22H14Cl2N2O3 and a molecular weight of 425.27 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide
PubChem CID151615815
Molecular FormulaC22H14Cl2N2O3
Molecular Weight425.27 g/mol
Exact Mass424.04
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H14Cl2N2O3/c23-17-8-6-13(10-18(17)24)12-26-19-9-7-15(11-16(19)20(27)22(26)29)25-21(28)14-4-2-1-3-5-14/h1-11H,12H2,(H,25,28)
InChIKeyQNLVLSRQIIOFJV-UHFFFAOYSA-N
XLogP4.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 54.98
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]benzamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide (CID 151615815) is N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide is O=C(Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide?
The InChIKey is QNLVLSRQIIOFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O3/c23-17-8-6-13(10-18(17)24)12-26-19-9-7-15(11-16(19)20(27)22(26)29)25-21(28)14-4-2-1-3-5-14/h1-11H,12H2,(H,25,28).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide?
N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide has a molecular weight of 425.27 g/mol, XLogP of 4.98, 4 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]benzamide is sourced from PubChem (CID 151615815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).