N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide

C25H22ClN3O3 — CID 11705023

IUPACN-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2(c3ccc(NC(C)=O)cc3)C(=O)Nc3c2ccc(Cl)c3C)cc1
InChIInChI=1S/C25H22ClN3O3/c1-14-22(26)13-12-21-23(14)29-24(32)25(21,17-4-8-19(9-5-17)27-15(2)30)18-6-10-20(11-7-18)28-16(3)31/h4-13H,1-3H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyOMMBSVBYABWIBP-UHFFFAOYSA-N
MW447.92 g/mol
LogP4.85
Rot. Bonds4

About N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide

N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide (PubChem CID 11705023) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide
PubChem CID11705023
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC NameN-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2(c3ccc(NC(C)=O)cc3)C(=O)Nc3c2ccc(Cl)c3C)cc1
InChIInChI=1S/C25H22ClN3O3/c1-14-22(26)13-12-21-23(14)29-24(32)25(21,17-4-8-19(9-5-17)27-15(2)30)18-6-10-20(11-7-18)28-16(3)31/h4-13H,1-3H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyOMMBSVBYABWIBP-UHFFFAOYSA-N
XLogP4.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide (CID 11705023) is N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2(c3ccc(NC(C)=O)cc3)C(=O)Nc3c2ccc(Cl)c3C)cc1.
What is the InChIKey of N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide?
The InChIKey is OMMBSVBYABWIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c1-14-22(26)13-12-21-23(14)29-24(32)25(21,17-4-8-19(9-5-17)27-15(2)30)18-6-10-20(11-7-18)28-16(3)31/h4-13H,1-3H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide?
N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide has a molecular weight of 447.92 g/mol, XLogP of 4.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide is sourced from PubChem (CID 11705023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).