9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate

C25H19FN2O2 — CID 169469568

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate
SMILESN#Cc1cc(F)ccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H19FN2O2/c26-19-12-11-17(18(14-19)15-27)6-5-13-28-25(29)30-16-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-12,14,24H,13,16H2,(H,28,29)
InChIKeyUOICYRNMAANDBK-UHFFFAOYSA-N
MW398.44 g/mol
LogP5.25
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate (PubChem CID 169469568) has the molecular formula C25H19FN2O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate
PubChem CID169469568
Molecular FormulaC25H19FN2O2
Molecular Weight398.44 g/mol
Exact Mass398.14
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate
SMILESN#Cc1cc(F)ccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H19FN2O2/c26-19-12-11-17(18(14-19)15-27)6-5-13-28-25(29)30-16-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-12,14,24H,13,16H2,(H,28,29)
InChIKeyUOICYRNMAANDBK-UHFFFAOYSA-N
XLogP5.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469951
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-5-fluorobenzoic acid
CID 169469811
9H-fluoren-9-ylmethyl N-[3-(4-cyano-3-fluorophenyl)prop-2-enyl]carbamate
CID 169469560
9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate
CID 169469496
9H-fluoren-9-ylmethyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate
CID 169469561
9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469609
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-fluoro-2-methylphenyl)prop-2-enyl]carbamate
CID 169469567
9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169470837
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-[4-[2-(cyanomethyl)-5-fluorophenyl]but-3-enyl]carbamate
CID 170492640
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3-hydroxybenzoic acid
CID 169469890

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate (CID 169469568) is 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate is N#Cc1cc(F)ccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate?
The InChIKey is UOICYRNMAANDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O2/c26-19-12-11-17(18(14-19)15-27)6-5-13-28-25(29)30-16-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-12,14,24H,13,16H2,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate has a molecular weight of 398.44 g/mol, XLogP of 5.25, 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-cyano-4-fluorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).