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

C16H14BrFN2O — CID 83065985

IUPAC1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(Nc2ccc(Br)cc2)CCc2c(F)cccc21
InChIInChI=1S/C16H14BrFN2O/c17-10-4-6-11(7-5-10)20-16(15(19)21)9-8-12-13(16)2-1-3-14(12)18/h1-7,20H,8-9H2,(H2,19,21)
InChIKeyVXWZGIOPXOJLSE-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.33
Rot. Bonds3

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

1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide (PubChem CID 83065985) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is 1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide
PubChem CID83065985
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(Nc2ccc(Br)cc2)CCc2c(F)cccc21
InChIInChI=1S/C16H14BrFN2O/c17-10-4-6-11(7-5-10)20-16(15(19)21)9-8-12-13(16)2-1-3-14(12)18/h1-7,20H,8-9H2,(H2,19,21)
InChIKeyVXWZGIOPXOJLSE-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide (CID 83065985) is 1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide is NC(=O)C1(Nc2ccc(Br)cc2)CCc2c(F)cccc21.
What is the InChIKey of 1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide?
The InChIKey is VXWZGIOPXOJLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c17-10-4-6-11(7-5-10)20-16(15(19)21)9-8-12-13(16)2-1-3-14(12)18/h1-7,20H,8-9H2,(H2,19,21).
What are the key properties of 1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide?
1-(4-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-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 83065985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).