N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

C23H16ClN3O3 — CID 86874533

IUPACN-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)CC3C(=O)Nc4ccccc43)cc2Cl)cc1
InChIInChI=1S/C23H16ClN3O3/c24-19-11-15(7-10-21(19)30-16-8-5-14(13-25)6-9-16)26-22(28)12-18-17-3-1-2-4-20(17)27-23(18)29/h1-11,18H,12H2,(H,26,28)(H,27,29)
InChIKeyAGSLMBOSGYLPJD-UHFFFAOYSA-N
MW417.85 g/mol
LogP5.07
Rot. Bonds5

About N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 86874533) has the molecular formula C23H16ClN3O3 and a molecular weight of 417.85 g/mol. Its IUPAC name is N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID86874533
Molecular FormulaC23H16ClN3O3
Molecular Weight417.85 g/mol
Exact Mass417.09
IUPAC NameN-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)CC3C(=O)Nc4ccccc43)cc2Cl)cc1
InChIInChI=1S/C23H16ClN3O3/c24-19-11-15(7-10-21(19)30-16-8-5-14(13-25)6-9-16)26-22(28)12-18-17-3-1-2-4-20(17)27-23(18)29/h1-11,18H,12H2,(H,26,28)(H,27,29)
InChIKeyAGSLMBOSGYLPJD-UHFFFAOYSA-N
XLogP5.07
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.85
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 86874533) is N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is N#Cc1ccc(Oc2ccc(NC(=O)CC3C(=O)Nc4ccccc43)cc2Cl)cc1.
What is the InChIKey of N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is AGSLMBOSGYLPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O3/c24-19-11-15(7-10-21(19)30-16-8-5-14(13-25)6-9-16)26-22(28)12-18-17-3-1-2-4-20(17)27-23(18)29/h1-11,18H,12H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 417.85 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 86874533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).