9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate

C24H19ClFNO2 — CID 169469095

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1c(F)cccc1Cl)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19ClFNO2/c25-22-12-5-13-23(26)20(22)11-6-14-27-24(28)29-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-13,21H,14-15H2,(H,27,28)
InChIKeyBAEFAKXNUJTPSA-UHFFFAOYSA-N
MW407.87 g/mol
LogP6.03
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate (PubChem CID 169469095) has the molecular formula C24H19ClFNO2 and a molecular weight of 407.87 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate
PubChem CID169469095
Molecular FormulaC24H19ClFNO2
Molecular Weight407.87 g/mol
Exact Mass407.11
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1c(F)cccc1Cl)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19ClFNO2/c25-22-12-5-13-23(26)20(22)11-6-14-27-24(28)29-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-13,21H,14-15H2,(H,27,28)
InChIKeyBAEFAKXNUJTPSA-UHFFFAOYSA-N
XLogP6.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.87
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)but-3-enyl]carbamate
CID 170491791
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169469103
9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119
9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469283
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3,5-difluorobenzoic acid
CID 169470107
9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470062
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]carbamate
CID 169469374
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-hydroxyphenyl)but-3-enyl]carbamate
CID 170491832
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-pyridinyl)prop-2-enyl]carbamate
CID 169470633
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate (CID 169469095) is 9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate is O=C(NCC=Cc1c(F)cccc1Cl)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate?
The InChIKey is BAEFAKXNUJTPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFNO2/c25-22-12-5-13-23(26)20(22)11-6-14-27-24(28)29-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-13,21H,14-15H2,(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate has a molecular weight of 407.87 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).