2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid

C18H15BrFNO3 — CID 166378194

IUPAC2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(Cc1ccc(F)cc1Br)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C18H15BrFNO3/c19-15-8-14(20)6-5-11(15)7-16(22)21-18(17(23)24)9-12-3-1-2-4-13(12)10-18/h1-6,8H,7,9-10H2,(H,21,22)(H,23,24)
InChIKeyIHNGBUGJKUZZKZ-UHFFFAOYSA-N
MW392.22 g/mol
LogP2.87
Rot. Bonds4

About 2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid

2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 166378194) has the molecular formula C18H15BrFNO3 and a molecular weight of 392.22 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID166378194
Molecular FormulaC18H15BrFNO3
Molecular Weight392.22 g/mol
Exact Mass391.02
IUPAC Name2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(Cc1ccc(F)cc1Br)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C18H15BrFNO3/c19-15-8-14(20)6-5-11(15)7-16(22)21-18(17(23)24)9-12-3-1-2-4-13(12)10-18/h1-6,8H,7,9-10H2,(H,21,22)(H,23,24)
InChIKeyIHNGBUGJKUZZKZ-UHFFFAOYSA-N
XLogP2.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 166378194) is 2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is O=C(Cc1ccc(F)cc1Br)NC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is IHNGBUGJKUZZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFNO3/c19-15-8-14(20)6-5-11(15)7-16(22)21-18(17(23)24)9-12-3-1-2-4-13(12)10-18/h1-6,8H,7,9-10H2,(H,21,22)(H,23,24).
What are the key properties of 2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 392.22 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-fluorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 166378194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).