9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate

C23H19FN2O2 — CID 169469006

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cccnc1F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H19FN2O2/c24-22-16(7-5-13-25-22)8-6-14-26-23(27)28-15-21-19-11-3-1-9-17(19)18-10-2-4-12-20(18)21/h1-13,21H,14-15H2,(H,26,27)
InChIKeyNWTQIMHTQPKGCD-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.77
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169469006) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate
PubChem CID169469006
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cccnc1F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H19FN2O2/c24-22-16(7-5-13-25-22)8-6-14-26-23(27)28-15-21-19-11-3-1-9-17(19)18-10-2-4-12-20(18)21/h1-13,21H,14-15H2,(H,26,27)
InChIKeyNWTQIMHTQPKGCD-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169469103
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169470824
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-pyridinyl)prop-2-enyl]carbamate
CID 169470633
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-pyridinyl)prop-2-enyl]carbamate
CID 169468973
9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469609
9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169469003
9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470062
9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate
CID 169469496
9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469951

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate (CID 169469006) is 9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate is O=C(NCC=Cc1cccnc1F)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is NWTQIMHTQPKGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c24-22-16(7-5-13-25-22)8-6-14-26-23(27)28-15-21-19-11-3-1-9-17(19)18-10-2-4-12-20(18)21/h1-13,21H,14-15H2,(H,26,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 374.42 g/mol, XLogP of 4.77, 5 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-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).