9H-fluoren-9-ylmethyl N-phenylcarbamate

C21H17NO2 — CID 3962849

IUPAC9H-fluoren-9-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17NO2/c23-21(22-15-8-2-1-3-9-15)24-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2,(H,22,23)
InChIKeyQMKWXXXGSSLJLK-UHFFFAOYSA-N
MW315.37 g/mol
LogP5.05
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-phenylcarbamate

9H-fluoren-9-ylmethyl N-phenylcarbamate (PubChem CID 3962849) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-phenylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-phenylcarbamate
PubChem CID3962849
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name9H-fluoren-9-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17NO2/c23-21(22-15-8-2-1-3-9-15)24-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2,(H,22,23)
InChIKeyQMKWXXXGSSLJLK-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.37
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-phenylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-phenylcarbamate (CID 3962849) is 9H-fluoren-9-ylmethyl N-phenylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-phenylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-phenylcarbamate?
The InChIKey is QMKWXXXGSSLJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c23-21(22-15-8-2-1-3-9-15)24-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2,(H,22,23).
What are the key properties of 9H-fluoren-9-ylmethyl N-phenylcarbamate?
9H-fluoren-9-ylmethyl N-phenylcarbamate has a molecular weight of 315.37 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-phenylcarbamate is sourced from PubChem (CID 3962849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).