benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate

C23H20N2O3 — CID 54367213

IUPACbenzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H20N2O3/c26-22(14-24-23(27)28-15-16-6-2-1-3-7-16)25-19-10-11-21-18(13-19)12-17-8-4-5-9-20(17)21/h1-11,13H,12,14-15H2,(H,24,27)(H,25,26)
InChIKeyNALGJRHQOYPNBS-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.12
Rot. Bonds5

About benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate

benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate (PubChem CID 54367213) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate
PubChem CID54367213
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Namebenzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H20N2O3/c26-22(14-24-23(27)28-15-16-6-2-1-3-7-16)25-19-10-11-21-18(13-19)12-17-8-4-5-9-20(17)21/h1-11,13H,12,14-15H2,(H,24,27)(H,25,26)
InChIKeyNALGJRHQOYPNBS-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate (CID 54367213) is benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate?
The InChIKey is NALGJRHQOYPNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(14-24-23(27)28-15-16-6-2-1-3-7-16)25-19-10-11-21-18(13-19)12-17-8-4-5-9-20(17)21/h1-11,13H,12,14-15H2,(H,24,27)(H,25,26).
What are the key properties of benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate?
benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate has a molecular weight of 372.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 54367213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).