2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide

C17H16BrNO2 — CID 155054291

IUPAC2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1ccc2c(c1)C(O)c1ccccc1-2
InChIInChI=1S/C17H16BrNO2/c1-17(2,18)16(21)19-10-7-8-12-11-5-3-4-6-13(11)15(20)14(12)9-10/h3-9,15,20H,1-2H3,(H,19,21)
InChIKeyHTAUHZLSAAKRTF-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.86
Rot. Bonds2

About 2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide

2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide (PubChem CID 155054291) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide
PubChem CID155054291
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1ccc2c(c1)C(O)c1ccccc1-2
InChIInChI=1S/C17H16BrNO2/c1-17(2,18)16(21)19-10-7-8-12-11-5-3-4-6-13(11)15(20)14(12)9-10/h3-9,15,20H,1-2H3,(H,19,21)
InChIKeyHTAUHZLSAAKRTF-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide (CID 155054291) is 2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide is CC(C)(Br)C(=O)Nc1ccc2c(c1)C(O)c1ccccc1-2.
What is the InChIKey of 2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide?
The InChIKey is HTAUHZLSAAKRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-17(2,18)16(21)19-10-7-8-12-11-5-3-4-6-13(11)15(20)14(12)9-10/h3-9,15,20H,1-2H3,(H,19,21).
What are the key properties of 2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide?
2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide has a molecular weight of 346.22 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(9-hydroxy-9H-fluoren-2-yl)-2-methylpropanamide is sourced from PubChem (CID 155054291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).