1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide

C16H14BrFN2O — CID 83065984

IUPAC1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(Nc2ccccc2Br)CCc2c(F)cccc21
InChIInChI=1S/C16H14BrFN2O/c17-12-5-1-2-7-14(12)20-16(15(19)21)9-8-10-11(16)4-3-6-13(10)18/h1-7,20H,8-9H2,(H2,19,21)
InChIKeyRYISFBSXRZTAAA-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.33
Rot. Bonds3

About 1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide

1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide (PubChem CID 83065984) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is 1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide
PubChem CID83065984
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(Nc2ccccc2Br)CCc2c(F)cccc21
InChIInChI=1S/C16H14BrFN2O/c17-12-5-1-2-7-14(12)20-16(15(19)21)9-8-10-11(16)4-3-6-13(10)18/h1-7,20H,8-9H2,(H2,19,21)
InChIKeyRYISFBSXRZTAAA-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-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-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide (CID 83065984) is 1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide is NC(=O)C1(Nc2ccccc2Br)CCc2c(F)cccc21.
What is the InChIKey of 1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide?
The InChIKey is RYISFBSXRZTAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c17-12-5-1-2-7-14(12)20-16(15(19)21)9-8-10-11(16)4-3-6-13(10)18/h1-7,20H,8-9H2,(H2,19,21).
What are the key properties of 1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide?
1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide has a molecular weight of 349.20 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 83065984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).