benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate

C18H18FNO2 — CID 86749558

IUPACbenzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate
SMILESO=C(NC1(c2cccc(F)c2)CCC1)OCc1ccccc1
InChIInChI=1S/C18H18FNO2/c19-16-9-4-8-15(12-16)18(10-5-11-18)20-17(21)22-13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H,20,21)
InChIKeyOHUAZYFJRAWWSL-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.13
Rot. Bonds4

About benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate

benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate (PubChem CID 86749558) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate
PubChem CID86749558
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Namebenzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate
SMILESO=C(NC1(c2cccc(F)c2)CCC1)OCc1ccccc1
InChIInChI=1S/C18H18FNO2/c19-16-9-4-8-15(12-16)18(10-5-11-18)20-17(21)22-13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H,20,21)
InChIKeyOHUAZYFJRAWWSL-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-[1-(3-fluorophenyl)cyclobutyl]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

Benzyl 1-phenylethylcarbamate
CID 9837961
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate
CID 95241701
(2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate
CID 73351939
benzyl N-[(2S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylbut-3-en-2-yl]carbamate
CID 89090977
benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate
CID 138990959
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate hydrochloride
CID 155973085
benzyl N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 101836032
Benzyl 1-(4-flurophenyl)but-3-enylcarbamate
CID 129845489
N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide
CID 134838646
benzyl N-[cyano(4-fluorophenyl)methyl]carbamate
CID 135011223
benzyl N-[(1S)-1-(4-fluorophenyl)-2-hydroxyethyl]carbamate
CID 135066300
benzyl N-[1-(4-ethenylphenyl)-2-fluoro-2-iodo-1-phenylethyl]carbamate
CID 162410642

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate (CID 86749558) is benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate is O=C(NC1(c2cccc(F)c2)CCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate?
The InChIKey is OHUAZYFJRAWWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-16-9-4-8-15(12-16)18(10-5-11-18)20-17(21)22-13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H,20,21).
What are the key properties of benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate?
benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate has a molecular weight of 299.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(3-fluorophenyl)cyclobutyl]carbamate is sourced from PubChem (CID 86749558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).