9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate

C26H24FNO3 — CID 170492121

IUPAC9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate
SMILESCOc1cccc(F)c1C=CCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24FNO3/c1-30-25-15-8-14-24(27)22(25)13-6-7-16-28-26(29)31-17-23-20-11-4-2-9-18(20)19-10-3-5-12-21(19)23/h2-6,8-15,23H,7,16-17H2,1H3,(H,28,29)
InChIKeyZWEVVXKVQUHHIL-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.78
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate (PubChem CID 170492121) has the molecular formula C26H24FNO3 and a molecular weight of 417.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate
PubChem CID170492121
Molecular FormulaC26H24FNO3
Molecular Weight417.48 g/mol
Exact Mass417.17
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate
SMILESCOc1cccc(F)c1C=CCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24FNO3/c1-30-25-15-8-14-24(27)22(25)13-6-7-16-28-26(29)31-17-23-20-11-4-2-9-18(20)19-10-3-5-12-21(19)23/h2-6,8-15,23H,7,16-17H2,1H3,(H,28,29)
InChIKeyZWEVVXKVQUHHIL-UHFFFAOYSA-N
XLogP5.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-hydroxyphenyl)but-3-enyl]carbamate
CID 170491832
9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)but-3-enyl]carbamate
CID 170491791
9H-fluoren-9-ylmethyl N-[4-(3-fluoro-2-hydroxyphenyl)but-3-enyl]carbamate
CID 170491829
9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate
CID 170491648
9H-fluoren-9-ylmethyl N-[4-(2-chloro-3-fluorophenyl)but-3-enyl]carbamate
CID 170491793
9H-fluoren-9-ylmethyl N-[4-(2-hydroxy-6-methylphenyl)but-3-enyl]carbamate
CID 170491849
9H-fluoren-9-ylmethyl N-[4-(2,5-difluorophenyl)but-3-enyl]carbamate
CID 170491796
9H-fluoren-9-ylmethyl N-[4-(4-amino-2-methoxyphenyl)but-3-enyl]carbamate
CID 170492355
9H-fluoren-9-ylmethyl N-[4-(4-chloro-3-methoxyphenyl)but-3-enyl]carbamate
CID 170492122
9H-fluoren-9-ylmethyl N-[4-(5-chloro-2-fluoro-4-methylphenyl)but-3-enyl]carbamate
CID 170492072
9H-fluoren-9-ylmethyl N-[4-(2-carbamoyl-5-fluorophenyl)but-3-enyl]carbamate
CID 170492707
9H-fluoren-9-ylmethyl N-[4-(4-fluoro-2-formylphenyl)but-3-enyl]carbamate
CID 170492113

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate (CID 170492121) is 9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate is COc1cccc(F)c1C=CCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate?
The InChIKey is ZWEVVXKVQUHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO3/c1-30-25-15-8-14-24(27)22(25)13-6-7-16-28-26(29)31-17-23-20-11-4-2-9-18(20)19-10-3-5-12-21(19)23/h2-6,8-15,23H,7,16-17H2,1H3,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate has a molecular weight of 417.48 g/mol, XLogP of 5.78, 7 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-[4-(2-fluoro-6-methoxyphenyl)but-3-enyl]carbamate is sourced from PubChem (CID 170492121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).