tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate

C15H19BrFNO2 — CID 129056408

IUPACtert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(F)c(Br)c2)CCC1
InChIInChI=1S/C15H19BrFNO2/c1-14(2,3)20-13(19)18-15(7-4-8-15)10-5-6-12(17)11(16)9-10/h5-6,9H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyYCPSKFQEMURDMI-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.49
Rot. Bonds2

About tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate

tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate (PubChem CID 129056408) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate
PubChem CID129056408
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Nametert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(F)c(Br)c2)CCC1
InChIInChI=1S/C15H19BrFNO2/c1-14(2,3)20-13(19)18-15(7-4-8-15)10-5-6-12(17)11(16)9-10/h5-6,9H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyYCPSKFQEMURDMI-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
CID 53216208
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
tert-butyl 3-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carboxylate
CID 166608452
tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate
CID 46856381
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate
CID 118564830
tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate
CID 58229889
tert-butyl 3-(4-bromo-2,5-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carboxylate
CID 166608183
tert-butyl 3-(3-fluoro-4-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carboxylate
CID 166608345
tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate
CID 58326444
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoic acid
CID 172639068
tert-butyl N-[(4S,6S)-6-(3-bromo-4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-6-methyl-4,5-dihydro-1,3-thiazin-2-yl]carbamate
CID 67025358
tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate
CID 138554710

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate (CID 129056408) is tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(F)c(Br)c2)CCC1.
What is the InChIKey of tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate?
The InChIKey is YCPSKFQEMURDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-14(2,3)20-13(19)18-15(7-4-8-15)10-5-6-12(17)11(16)9-10/h5-6,9H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate?
tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate has a molecular weight of 344.22 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate is sourced from PubChem (CID 129056408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).