1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide

C30H31ClF2N4O8 — CID 91352863

IUPAC1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(C)C(=O)N2CC(F)(F)CC2C(=O)NC2CC(=O)OC2OC2Cc3ccccc3C2O)cc1Cl
InChIInChI=1S/C30H31ClF2N4O8/c1-14(34-26(41)17-7-8-20(19(31)9-17)35-15(2)38)28(43)37-13-30(32,33)12-22(37)27(42)36-21-11-24(39)45-29(21)44-23-10-16-5-3-4-6-18(16)25(23)40/h3-9,14,21-23,25,29,40H,10-13H2,1-2H3,(H,34,41)(H,35,38)(H,36,42)
InChIKeyGWBMKISJIRJXLF-UHFFFAOYSA-N
MW649.05 g/mol
LogP2.09
Rot. Bonds8

About 1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide

1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide (PubChem CID 91352863) has the molecular formula C30H31ClF2N4O8 and a molecular weight of 649.05 g/mol. Its IUPAC name is 1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
PubChem CID91352863
Molecular FormulaC30H31ClF2N4O8
Molecular Weight649.05 g/mol
Exact Mass648.18
IUPAC Name1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(C)C(=O)N2CC(F)(F)CC2C(=O)NC2CC(=O)OC2OC2Cc3ccccc3C2O)cc1Cl
InChIInChI=1S/C30H31ClF2N4O8/c1-14(34-26(41)17-7-8-20(19(31)9-17)35-15(2)38)28(43)37-13-30(32,33)12-22(37)27(42)36-21-11-24(39)45-29(21)44-23-10-16-5-3-4-6-18(16)25(23)40/h3-9,14,21-23,25,29,40H,10-13H2,1-2H3,(H,34,41)(H,35,38)(H,36,42)
InChIKeyGWBMKISJIRJXLF-UHFFFAOYSA-N
XLogP2.09
TPSA163.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.05
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide 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 1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide (CID 91352863) is 1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide is CC(=O)Nc1ccc(C(=O)NC(C)C(=O)N2CC(F)(F)CC2C(=O)NC2CC(=O)OC2OC2Cc3ccccc3C2O)cc1Cl.
What is the InChIKey of 1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is GWBMKISJIRJXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClF2N4O8/c1-14(34-26(41)17-7-8-20(19(31)9-17)35-15(2)38)28(43)37-13-30(32,33)12-22(37)27(42)36-21-11-24(39)45-29(21)44-23-10-16-5-3-4-6-18(16)25(23)40/h3-9,14,21-23,25,29,40H,10-13H2,1-2H3,(H,34,41)(H,35,38)(H,36,42).
What are the key properties of 1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide?
1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 649.05 g/mol, XLogP of 2.09, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-acetamido-3-chlorobenzoyl)amino]propanoyl]-4,4-difluoro-N-[2-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)oxy]-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91352863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).