tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate

C15H21BrFNO3 — CID 118337107

IUPACtert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate
SMILESCCOc1c(C(C)NC(=O)OC(C)(C)C)ccc(Br)c1F
InChIInChI=1S/C15H21BrFNO3/c1-6-20-13-10(7-8-11(16)12(13)17)9(2)18-14(19)21-15(3,4)5/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyKQZNICQGMYYUAS-UHFFFAOYSA-N
MW362.24 g/mol
LogP4.57
Rot. Bonds4

About tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate

tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate (PubChem CID 118337107) has the molecular formula C15H21BrFNO3 and a molecular weight of 362.24 g/mol. Its IUPAC name is tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate
PubChem CID118337107
Molecular FormulaC15H21BrFNO3
Molecular Weight362.24 g/mol
Exact Mass361.07
IUPAC Nametert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate
SMILESCCOc1c(C(C)NC(=O)OC(C)(C)C)ccc(Br)c1F
InChIInChI=1S/C15H21BrFNO3/c1-6-20-13-10(7-8-11(16)12(13)17)9(2)18-14(19)21-15(3,4)5/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyKQZNICQGMYYUAS-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenoxy)butan-2-yl N-benzylcarbamate
CID 10948846
tert-butyl N-[(1S)-1-(4-bromo-2-hydroxyphenyl)ethyl]carbamate
CID 165996550
ethyl N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamate
CID 11161472
ethyl N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamate
CID 11163246
tert-butyl ((S)-2-(2-((R)-1-aminoethyl)-4-fluorophenoxy)propyl)carbamate
CID 124187492
Tert-butyl (5-bromo-2-methoxybenzyl)carbamate
CID 22926030
Tert-butyl (4-bromo-2-methoxybenzyl)carbamate
CID 121272741
tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 134966311
N-[(1S)-1-[4-bromo-2-(3-hydroxypropoxy)phenyl]ethyl]-2-methylpropanamide
CID 124294362
tert-butyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 54371392
tert-butyl N-[(2-butoxy-4-fluorophenyl)methyl]carbamate
CID 68168637
tert-butyl N-[(1S)-1-[5-fluoro-2-(2-hydroxyethoxy)phenyl]propyl]carbamate
CID 68344605

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate (CID 118337107) is tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate is CCOc1c(C(C)NC(=O)OC(C)(C)C)ccc(Br)c1F.
What is the InChIKey of tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate?
The InChIKey is KQZNICQGMYYUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO3/c1-6-20-13-10(7-8-11(16)12(13)17)9(2)18-14(19)21-15(3,4)5/h7-9H,6H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate?
tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate has a molecular weight of 362.24 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-bromo-2-ethoxy-3-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 118337107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).