bromo N-(2-ethyl-4-fluorophenyl)carbamate

C9H9BrFNO2 — CID 175405896

IUPACbromo N-(2-ethyl-4-fluorophenyl)carbamate
SMILESCCc1cc(F)ccc1NC(=O)OBr
InChIInChI=1S/C9H9BrFNO2/c1-2-6-5-7(11)3-4-8(6)12-9(13)14-10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyHLWAEQXTTNCGIC-UHFFFAOYSA-N
MW262.08 g/mol
LogP3.25
Rot. Bonds2

About bromo N-(2-ethyl-4-fluorophenyl)carbamate

bromo N-(2-ethyl-4-fluorophenyl)carbamate (PubChem CID 175405896) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is bromo N-(2-ethyl-4-fluorophenyl)carbamate.

Molecular Properties

Compound Namebromo N-(2-ethyl-4-fluorophenyl)carbamate
PubChem CID175405896
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Namebromo N-(2-ethyl-4-fluorophenyl)carbamate
SMILESCCc1cc(F)ccc1NC(=O)OBr
InChIInChI=1S/C9H9BrFNO2/c1-2-6-5-7(11)3-4-8(6)12-9(13)14-10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyHLWAEQXTTNCGIC-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethyl-4-fluorophenyl)hydrazine
CID 131054552
N,2-diethyl-4-fluoroaniline
CID 23348964
N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 129039328
N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine
CID 84765578
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 126515964
methyl N-(2-chloro-4-fluorophenyl)carbamate
CID 115579852
N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide
CID 81287800
1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea
CID 81290117
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
CID 51178974
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865

Frequently Asked Questions

What is the IUPAC name of bromo N-(2-ethyl-4-fluorophenyl)carbamate?
The IUPAC name of bromo N-(2-ethyl-4-fluorophenyl)carbamate (CID 175405896) is bromo N-(2-ethyl-4-fluorophenyl)carbamate.
What is the SMILES notation for bromo N-(2-ethyl-4-fluorophenyl)carbamate?
The canonical SMILES for bromo N-(2-ethyl-4-fluorophenyl)carbamate is CCc1cc(F)ccc1NC(=O)OBr.
What is the InChIKey of bromo N-(2-ethyl-4-fluorophenyl)carbamate?
The InChIKey is HLWAEQXTTNCGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-2-6-5-7(11)3-4-8(6)12-9(13)14-10/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of bromo N-(2-ethyl-4-fluorophenyl)carbamate?
bromo N-(2-ethyl-4-fluorophenyl)carbamate has a molecular weight of 262.08 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo N-(2-ethyl-4-fluorophenyl)carbamate is sourced from PubChem (CID 175405896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).