3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid

C24H23ClF2N2O6 — CID 69485591

IUPAC3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid
SMILESCOc1cc2c(CC(=O)NCC(C)C(=O)O)c(C)n(C(=O)c3ccc(OC(F)F)cc3)c2cc1Cl
InChIInChI=1S/C24H23ClF2N2O6/c1-12(23(32)33)11-28-21(30)9-16-13(2)29(19-10-18(25)20(34-3)8-17(16)19)22(31)14-4-6-15(7-5-14)35-24(26)27/h4-8,10,12,24H,9,11H2,1-3H3,(H,28,30)(H,32,33)
InChIKeyWARQYSLTAHEDBY-UHFFFAOYSA-N
MW508.91 g/mol
LogP4.28
Rot. Bonds9

About 3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid

3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid (PubChem CID 69485591) has the molecular formula C24H23ClF2N2O6 and a molecular weight of 508.91 g/mol. Its IUPAC name is 3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid
PubChem CID69485591
Molecular FormulaC24H23ClF2N2O6
Molecular Weight508.91 g/mol
Exact Mass508.12
IUPAC Name3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid
SMILESCOc1cc2c(CC(=O)NCC(C)C(=O)O)c(C)n(C(=O)c3ccc(OC(F)F)cc3)c2cc1Cl
InChIInChI=1S/C24H23ClF2N2O6/c1-12(23(32)33)11-28-21(30)9-16-13(2)29(19-10-18(25)20(34-3)8-17(16)19)22(31)14-4-6-15(7-5-14)35-24(26)27/h4-8,10,12,24H,9,11H2,1-3H3,(H,28,30)(H,32,33)
InChIKeyWARQYSLTAHEDBY-UHFFFAOYSA-N
XLogP4.28
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.91
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid 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-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid (CID 69485591) is 3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid is COc1cc2c(CC(=O)NCC(C)C(=O)O)c(C)n(C(=O)c3ccc(OC(F)F)cc3)c2cc1Cl.
What is the InChIKey of 3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid?
The InChIKey is WARQYSLTAHEDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N2O6/c1-12(23(32)33)11-28-21(30)9-16-13(2)29(19-10-18(25)20(34-3)8-17(16)19)22(31)14-4-6-15(7-5-14)35-24(26)27/h4-8,10,12,24H,9,11H2,1-3H3,(H,28,30)(H,32,33).
What are the key properties of 3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid?
3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid has a molecular weight of 508.91 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 69485591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).