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

C14H18BrNO2 — CID 53216208

IUPACtert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H18BrNO2/c1-13(2,3)18-12(17)16-14(8-9-14)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyZJEMFURAGDYBTG-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.96
Rot. Bonds2

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

tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate (PubChem CID 53216208) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
PubChem CID53216208
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Nametert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H18BrNO2/c1-13(2,3)18-12(17)16-14(8-9-14)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyZJEMFURAGDYBTG-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate
CID 58229889
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate
CID 118564830
tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate
CID 46856381
tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate
CID 129056408
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoic acid
CID 172639068
propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate
CID 118391631
tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate
CID 58326444
tert-butyl N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxan-4-yl]carbamate
CID 167722202
tert-butyl N-[1-(3-bromophenyl)-3,3-dimethoxycyclobutyl]carbamate
CID 118996733
tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
CID 171921911
cis-methyl (1S,2S)-2-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 93047912
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate (CID 53216208) is tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC1.
What is the InChIKey of tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate?
The InChIKey is ZJEMFURAGDYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-13(2,3)18-12(17)16-14(8-9-14)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate?
tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate has a molecular weight of 312.21 g/mol, XLogP of 3.96, 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-(4-bromophenyl)cyclopropyl]carbamate is sourced from PubChem (CID 53216208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).