tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate

C15H20BrNO3 — CID 58229876

IUPACtert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC(O)C1
InChIInChI=1S/C15H20BrNO3/c1-14(2,3)20-13(19)17-15(8-12(18)9-15)10-4-6-11(16)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyAKAFCOGYGDWCPA-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.32
Rot. Bonds2

About tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate

tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate (PubChem CID 58229876) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate
PubChem CID58229876
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Nametert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC(O)C1
InChIInChI=1S/C15H20BrNO3/c1-14(2,3)20-13(19)17-15(8-12(18)9-15)10-4-6-11(16)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyAKAFCOGYGDWCPA-UHFFFAOYSA-N
XLogP3.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl (1-(4-bromophenyl)cyclobutyl)carbamate
CID 52988051
tert-butyl N-[(1R)-1-(4-bromophenyl)-2-hydroxyethyl]carbamate
CID 12194286
tert-butyl N-((1S)-1-(4-bromophenyl)-2-hydroxyethyl)carbamate
CID 124518156
(R)-tert-Butyl (2-(5-bromo-2-fluorophenyl)-1-hydroxypropan-2-yl)carbamate
CID 86715703
3-Amino-3-(4-bromophenyl)cyclobutan-1-ol hydrochloride
CID 126818574
tert-Butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate
CID 52988050
tert-Butyl 2-(4-bromo-2-fluorophenyl)-propan-2-ylcarbamate
CID 18183234
tert-butyl N-[2-(5-bromo-2,4-difluorophenyl)-1-hydroxypropan-2-yl]carbamate
CID 57514200
tert-butyl N-[1-(4-bromophenyl)-3,3-difluorocyclobutyl]carbamate
CID 58216614
tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate
CID 58229889
Tert-butyl [1-(5-bromo-2-fluorophenyl)-2-hydroxy-1-methylethyl]carbamate
CID 66634009
[1-(3-Bromo-phenyl)-2,2-difluoro-1-hydroxymethyl-ethyl]-carbamic acid tert-butyl ester
CID 66665609

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate (CID 58229876) is tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC(O)C1.
What is the InChIKey of tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate?
The InChIKey is AKAFCOGYGDWCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-14(2,3)20-13(19)17-15(8-12(18)9-15)10-4-6-11(16)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate?
tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate has a molecular weight of 342.23 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate is sourced from PubChem (CID 58229876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).