9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate

C43H44ClNO4 — CID 51341321

About 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate (PubChem CID 51341321) has the molecular formula C43H44ClNO4 and a molecular weight of 674.28 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate
• PubChem CID: 51341321
• Molecular Formula: C43H44ClNO4
• Molecular Weight: 674.28 g/mol
• Exact Mass: 673.30
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate
• SMILES: Cc1ccc(C(OC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)OC(C)(C)C)(c2ccccc2)c2ccccc2Cl)cc1
• InChI: InChI=1S/C43H44ClNO4/c1-29-23-25-32(26-24-29)43(31-15-7-6-8-16-31,38-21-13-14-22-39(38)44)48-28-40(30(2)49-42(3,4)5)45-41(46)47-27-37-35-19-11-9-17-33(35)34-18-10-12-20-36(34)37/h6-26,30,37,40H,27-28H2,1-5H3,(H,45,46)/t30-,40-,43?/m1/s1
• InChIKey: RFMJIQOWXDMATF-WSDYSEAPSA-N
• XLogP: 10.07
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.28
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate (CID 51341321) is 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate is Cc1ccc(C(OC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)OC(C)(C)C)(c2ccccc2)c2ccccc2Cl)cc1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate?

The InChIKey is RFMJIQOWXDMATF-WSDYSEAPSA-N. The full InChI is InChI=1S/C43H44ClNO4/c1-29-23-25-32(26-24-29)43(31-15-7-6-8-16-31,38-21-13-14-22-39(38)44)48-28-40(30(2)49-42(3,4)5)45-41(46)47-27-37-35-19-11-9-17-33(35)34-18-10-12-20-36(34)37/h6-26,30,37,40H,27-28H2,1-5H3,(H,45,46)/t30-,40-,43?/m1/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate?

9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate has a molecular weight of 674.28 g/mol, XLogP of 10.07, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate is sourced from PubChem (CID 51341321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).