9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate

C24H21Br2NO5 — CID 170835406

About 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170835406) has the molecular formula C24H21Br2NO5 and a molecular weight of 563.24 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
• PubChem CID: 170835406
• Molecular Formula: C24H21Br2NO5
• Molecular Weight: 563.24 g/mol
• Exact Mass: 560.98
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
• SMILES: O=C(NCC(O)C(O)c1cc(Br)cc(Br)c1O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C24H21Br2NO5/c25-13-9-18(22(29)20(26)10-13)23(30)21(28)11-27-24(31)32-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-10,19,21,23,28-30H,11-12H2,(H,27,31)
• InChIKey: AMZIXMHHMQZQBA-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 99.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.24
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate (CID 170835406) is 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1cc(Br)cc(Br)c1O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate?

The InChIKey is AMZIXMHHMQZQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Br2NO5/c25-13-9-18(22(29)20(26)10-13)23(30)21(28)11-27-24(31)32-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-10,19,21,23,28-30H,11-12H2,(H,27,31).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 563.24 g/mol, XLogP of 4.85, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170835406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).