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

C10H11BrFNO2 — CID 115171319

IUPAC2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid
SMILESCN(CCc1cc(Br)ccc1F)C(=O)O
InChIInChI=1S/C10H11BrFNO2/c1-13(10(14)15)5-4-7-6-8(11)2-3-9(7)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyQXNCSAKLUZSTQC-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.74
Rot. Bonds3

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

2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid (PubChem CID 115171319) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.10 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid
PubChem CID115171319
Molecular FormulaC10H11BrFNO2
Molecular Weight276.10 g/mol
Exact Mass275.00
IUPAC Name2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid
SMILESCN(CCc1cc(Br)ccc1F)C(=O)O
InChIInChI=1S/C10H11BrFNO2/c1-13(10(14)15)5-4-7-6-8(11)2-3-9(7)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyQXNCSAKLUZSTQC-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

N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide
CID 115191354
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 115005644
1-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190032
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042482
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
CID 115175246
2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine
CID 115259643
2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
CID 150275747
2-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]acetaldehyde
CID 115223440
2-(2,3-difluorophenyl)ethyl-methylcarbamic acid
CID 68944191
4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one
CID 62320547
N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178878
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135545

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid (CID 115171319) is 2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid is CN(CCc1cc(Br)ccc1F)C(=O)O.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid?
The InChIKey is QXNCSAKLUZSTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-13(10(14)15)5-4-7-6-8(11)2-3-9(7)12/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid?
2-(5-bromo-2-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-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid is sourced from PubChem (CID 115171319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).