2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid

C10H11BrFNO2 — CID 150275747

IUPAC2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
SMILESCN(CCc1cc(F)ccc1Br)C(=O)O
InChIInChI=1S/C10H11BrFNO2/c1-13(10(14)15)5-4-7-6-8(12)2-3-9(7)11/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyGENKOKXKNZMVPE-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.74
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid

2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid (PubChem CID 150275747) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.10 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
PubChem CID150275747
Molecular FormulaC10H11BrFNO2
Molecular Weight276.10 g/mol
Exact Mass275.00
IUPAC Name2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
SMILESCN(CCc1cc(F)ccc1Br)C(=O)O
InChIInChI=1S/C10H11BrFNO2/c1-13(10(14)15)5-4-7-6-8(12)2-3-9(7)11/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyGENKOKXKNZMVPE-UHFFFAOYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid
CID 115171319
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
CID 62020447
N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide
CID 66717796
2-(2,3-difluorophenyl)ethyl-methylcarbamic acid
CID 68944191
2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115162189
3-(2-bromo-5-fluorophenyl)propanal
CID 53434280
(2-bromo-5-fluorophenyl)methyl carbamate
CID 150503608
2-(2-bromo-5-fluorophenyl)ethanesulfonic acid
CID 86621556
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
(2R)-2-[3-(2-bromo-5-fluorophenyl)propanoylamino]propanoic acid
CID 120526889
N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195055
2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide
CID 43310970

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid (CID 150275747) is 2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid is CN(CCc1cc(F)ccc1Br)C(=O)O.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid?
The InChIKey is GENKOKXKNZMVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-13(10(14)15)5-4-7-6-8(12)2-3-9(7)11/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid?
2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid has a molecular weight of 276.10 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid is sourced from PubChem (CID 150275747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).