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

C19H21FN2O2 — CID 103392944

IUPACbenzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCc2cccc(F)c2)C1)OCc1ccccc1
InChIInChI=1S/C19H21FN2O2/c20-16-8-4-7-15(9-16)12-21-17-10-18(11-17)22-19(23)24-13-14-5-2-1-3-6-14/h1-9,17-18,21H,10-13H2,(H,22,23)
InChIKeyIVSZEGKHPGDCTQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.37
Rot. Bonds6

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

benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate (PubChem CID 103392944) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
PubChem CID103392944
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Namebenzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCc2cccc(F)c2)C1)OCc1ccccc1
InChIInChI=1S/C19H21FN2O2/c20-16-8-4-7-15(9-16)12-21-17-10-18(11-17)22-19(23)24-13-14-5-2-1-3-6-14/h1-9,17-18,21H,10-13H2,(H,22,23)
InChIKeyIVSZEGKHPGDCTQ-UHFFFAOYSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392750
benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
CID 103393345
benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate
CID 103392905
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 103392833
benzyl N-[3-(2,3,5-trifluoroanilino)cyclobutyl]carbamate
CID 103393393
benzyl N-[3-[(5-bromothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393251
benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393456
benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate
CID 103393285
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate (CID 103392944) is benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate is O=C(NC1CC(NCc2cccc(F)c2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate?
The InChIKey is IVSZEGKHPGDCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-8-4-7-15(9-16)12-21-17-10-18(11-17)22-19(23)24-13-14-5-2-1-3-6-14/h1-9,17-18,21H,10-13H2,(H,22,23).
What are the key properties of benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate?
benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate has a molecular weight of 328.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103392944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).