3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide

C30H24F2N4O3 — CID 78023780

IUPAC3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C30H24F2N4O3/c31-20-11-17(12-21(32)15-20)13-26(35-27(37)16-24-23-7-1-2-9-25(23)36-30(24)39)28-22(8-4-10-34-28)18-5-3-6-19(14-18)29(33)38/h1-12,14-15,24,26H,13,16H2,(H2,33,38)(H,35,37)(H,36,39)
InChIKeyDVDGEMGZIIXYJQ-UHFFFAOYSA-N
MW526.54 g/mol
LogP4.65
Rot. Bonds8

About 3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide

3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide (PubChem CID 78023780) has the molecular formula C30H24F2N4O3 and a molecular weight of 526.54 g/mol. Its IUPAC name is 3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
PubChem CID78023780
Molecular FormulaC30H24F2N4O3
Molecular Weight526.54 g/mol
Exact Mass526.18
IUPAC Name3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C30H24F2N4O3/c31-20-11-17(12-21(32)15-20)13-26(35-27(37)16-24-23-7-1-2-9-25(23)36-30(24)39)28-22(8-4-10-34-28)18-5-3-6-19(14-18)29(33)38/h1-12,14-15,24,26H,13,16H2,(H2,33,38)(H,35,37)(H,36,39)
InChIKeyDVDGEMGZIIXYJQ-UHFFFAOYSA-N
XLogP4.65
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.54
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide?
The IUPAC name of 3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide (CID 78023780) is 3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide is NC(=O)c1cccc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3ccccc32)c1.
What is the InChIKey of 3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide?
The InChIKey is DVDGEMGZIIXYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N4O3/c31-20-11-17(12-21(32)15-20)13-26(35-27(37)16-24-23-7-1-2-9-25(23)36-30(24)39)28-22(8-4-10-34-28)18-5-3-6-19(14-18)29(33)38/h1-12,14-15,24,26H,13,16H2,(H2,33,38)(H,35,37)(H,36,39).
What are the key properties of 3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide?
3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide has a molecular weight of 526.54 g/mol, XLogP of 4.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 78023780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).