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

C19H18BrNO4 — CID 67076330

IUPACmethyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(OC)c(Br)c2)Cc2ccccc2C1
InChIInChI=1S/C19H18BrNO4/c1-24-16-8-7-12(9-15(16)20)17(22)21-19(18(23)25-2)10-13-5-3-4-6-14(13)11-19/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyZTZCQFUZUFYAQY-UHFFFAOYSA-N
MW404.26 g/mol
LogP2.90
Rot. Bonds4

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

methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 67076330) has the molecular formula C19H18BrNO4 and a molecular weight of 404.26 g/mol. Its IUPAC name is methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
PubChem CID67076330
Molecular FormulaC19H18BrNO4
Molecular Weight404.26 g/mol
Exact Mass403.04
IUPAC Namemethyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(OC)c(Br)c2)Cc2ccccc2C1
InChIInChI=1S/C19H18BrNO4/c1-24-16-8-7-12(9-15(16)20)17(22)21-19(18(23)25-2)10-13-5-3-4-6-14(13)11-19/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyZTZCQFUZUFYAQY-UHFFFAOYSA-N
XLogP2.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate 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 methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate (CID 67076330) is methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate is COC(=O)C1(NC(=O)c2ccc(OC)c(Br)c2)Cc2ccccc2C1.
What is the InChIKey of methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is ZTZCQFUZUFYAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO4/c1-24-16-8-7-12(9-15(16)20)17(22)21-19(18(23)25-2)10-13-5-3-4-6-14(13)11-19/h3-9H,10-11H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 404.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 67076330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).