9H-fluoren-9-ylmethyl N-benzoylcarbamate

C22H17NO3 — CID 10020316

IUPAC9H-fluoren-9-ylmethyl N-benzoylcarbamate
SMILESO=C(NC(=O)c1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17NO3/c24-21(15-8-2-1-3-9-15)23-22(25)26-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2,(H,23,24,25)
InChIKeyYQKNETFZOLZABE-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.37
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-benzoylcarbamate

9H-fluoren-9-ylmethyl N-benzoylcarbamate (PubChem CID 10020316) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-benzoylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-benzoylcarbamate
PubChem CID10020316
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name9H-fluoren-9-ylmethyl N-benzoylcarbamate
SMILESO=C(NC(=O)c1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17NO3/c24-21(15-8-2-1-3-9-15)23-22(25)26-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2,(H,23,24,25)
InChIKeyYQKNETFZOLZABE-UHFFFAOYSA-N
XLogP4.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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9H-fluoren-9-ylmethyl N-(methylamino)carbamate
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(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 7146280
3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid
CID 174634562
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
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2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-benzoylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-benzoylcarbamate (CID 10020316) is 9H-fluoren-9-ylmethyl N-benzoylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-benzoylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-benzoylcarbamate is O=C(NC(=O)c1ccccc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-benzoylcarbamate?
The InChIKey is YQKNETFZOLZABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c24-21(15-8-2-1-3-9-15)23-22(25)26-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2,(H,23,24,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-benzoylcarbamate?
9H-fluoren-9-ylmethyl N-benzoylcarbamate has a molecular weight of 343.38 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-benzoylcarbamate is sourced from PubChem (CID 10020316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).