9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate

C23H18N4O3 — CID 39846433

IUPAC9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate
SMILESO=C(NCC(=O)n1nnc2ccccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18N4O3/c28-22(27-21-12-6-5-11-20(21)25-26-27)13-24-23(29)30-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19H,13-14H2,(H,24,29)
InChIKeyFKDIZKBMJXDKNM-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.61
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate (PubChem CID 39846433) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate
PubChem CID39846433
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate
SMILESO=C(NCC(=O)n1nnc2ccccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18N4O3/c28-22(27-21-12-6-5-11-20(21)25-26-27)13-24-23(29)30-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19H,13-14H2,(H,24,29)
InChIKeyFKDIZKBMJXDKNM-UHFFFAOYSA-N
XLogP3.61
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate (CID 39846433) is 9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate is O=C(NCC(=O)n1nnc2ccccc21)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate?
The InChIKey is FKDIZKBMJXDKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c28-22(27-21-12-6-5-11-20(21)25-26-27)13-24-23(29)30-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19H,13-14H2,(H,24,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate has a molecular weight of 398.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 39846433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).