methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate

C26H23FN2O5 — CID 142764640

IUPACmethyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(OC)c(NC(=O)c3ccc(F)cc3)c2)Cc2ccccc2C1
InChIInChI=1S/C26H23FN2O5/c1-33-22-12-9-17(13-21(22)28-23(30)16-7-10-20(27)11-8-16)24(31)29-26(25(32)34-2)14-18-5-3-4-6-19(18)15-26/h3-13H,14-15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyKMEYIFAEZYOZPJ-UHFFFAOYSA-N
MW462.48 g/mol
LogP3.53
Rot. Bonds6

About methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate

methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 142764640) has the molecular formula C26H23FN2O5 and a molecular weight of 462.48 g/mol. Its IUPAC name is methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate
PubChem CID142764640
Molecular FormulaC26H23FN2O5
Molecular Weight462.48 g/mol
Exact Mass462.16
IUPAC Namemethyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(OC)c(NC(=O)c3ccc(F)cc3)c2)Cc2ccccc2C1
InChIInChI=1S/C26H23FN2O5/c1-33-22-12-9-17(13-21(22)28-23(30)16-7-10-20(27)11-8-16)24(31)29-26(25(32)34-2)14-18-5-3-4-6-19(18)15-26/h3-13H,14-15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyKMEYIFAEZYOZPJ-UHFFFAOYSA-N
XLogP3.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate with MolForge

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Related Compounds

methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
CID 67076518
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
3-anilino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 18626285
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
methyl 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 67076651
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate (CID 142764640) is methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate is COC(=O)C1(NC(=O)c2ccc(OC)c(NC(=O)c3ccc(F)cc3)c2)Cc2ccccc2C1.
What is the InChIKey of methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is KMEYIFAEZYOZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O5/c1-33-22-12-9-17(13-21(22)28-23(30)16-7-10-20(27)11-8-16)24(31)29-26(25(32)34-2)14-18-5-3-4-6-19(18)15-26/h3-13H,14-15H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 462.48 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 142764640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).