tert-butyl N,N-bis(2-bromophenyl)carbamate

C17H17Br2NO2 — CID 101464564

IUPACtert-butyl N,N-bis(2-bromophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C17H17Br2NO2/c1-17(2,3)22-16(21)20(14-10-6-4-8-12(14)18)15-11-7-5-9-13(15)19/h4-11H,1-3H3
InChIKeyTZIOTLUBUNOBEV-UHFFFAOYSA-N
MW427.14 g/mol
LogP6.28
Rot. Bonds2

About tert-butyl N,N-bis(2-bromophenyl)carbamate

tert-butyl N,N-bis(2-bromophenyl)carbamate (PubChem CID 101464564) has the molecular formula C17H17Br2NO2 and a molecular weight of 427.14 g/mol. Its IUPAC name is tert-butyl N,N-bis(2-bromophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis(2-bromophenyl)carbamate
PubChem CID101464564
Molecular FormulaC17H17Br2NO2
Molecular Weight427.14 g/mol
Exact Mass424.96
IUPAC Nametert-butyl N,N-bis(2-bromophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C17H17Br2NO2/c1-17(2,3)22-16(21)20(14-10-6-4-8-12(14)18)15-11-7-5-9-13(15)19/h4-11H,1-3H3
InChIKeyTZIOTLUBUNOBEV-UHFFFAOYSA-N
XLogP6.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.14
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2-bromophenyl)-N-prop-2-ynylcarbamate
CID 16748153
tert-butyl N-[2-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232067
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]benzoate
CID 7022399
tert-butyl N-[(2-bromophenyl)methyl]-N-(trideuteriomethyl)carbamate
CID 155291914
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
tert-butyl N-[2-[(2-bromophenyl)carbamoylamino]ethyl]carbamate
CID 108864539
tert-butyl N-[2-[(2-bromophenyl)methyl-methylamino]ethyl]-N-methylcarbamate
CID 162438476
tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate
CID 165178410
tert-butyl N,N-bis(5-bromothiophen-2-yl)carbamate
CID 102397076
tert-butyl N-methoxy-N-(2-methylphenyl)carbamate
CID 54101933
tert-butyl N,N-bis(3-chlorophenyl)carbamate
CID 139244881
tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate
CID 107237536

Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-bis(2-bromophenyl)carbamate?
The IUPAC name of tert-butyl N,N-bis(2-bromophenyl)carbamate (CID 101464564) is tert-butyl N,N-bis(2-bromophenyl)carbamate.
What is the SMILES notation for tert-butyl N,N-bis(2-bromophenyl)carbamate?
The canonical SMILES for tert-butyl N,N-bis(2-bromophenyl)carbamate is CC(C)(C)OC(=O)N(c1ccccc1Br)c1ccccc1Br.
What is the InChIKey of tert-butyl N,N-bis(2-bromophenyl)carbamate?
The InChIKey is TZIOTLUBUNOBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO2/c1-17(2,3)22-16(21)20(14-10-6-4-8-12(14)18)15-11-7-5-9-13(15)19/h4-11H,1-3H3.
What are the key properties of tert-butyl N,N-bis(2-bromophenyl)carbamate?
tert-butyl N,N-bis(2-bromophenyl)carbamate has a molecular weight of 427.14 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-bis(2-bromophenyl)carbamate is sourced from PubChem (CID 101464564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).