methyl N-(3-bromo-4-fluorophenyl)carbamate

C8H7BrFNO2 — CID 115661421

IUPACmethyl N-(3-bromo-4-fluorophenyl)carbamate
SMILESCOC(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C8H7BrFNO2/c1-13-8(12)11-5-2-3-7(10)6(9)4-5/h2-4H,1H3,(H,11,12)
InChIKeyXBBDXNKTRDEMNA-UHFFFAOYSA-N
MW248.05 g/mol
LogP2.77
Rot. Bonds1

About methyl N-(3-bromo-4-fluorophenyl)carbamate

methyl N-(3-bromo-4-fluorophenyl)carbamate (PubChem CID 115661421) has the molecular formula C8H7BrFNO2 and a molecular weight of 248.05 g/mol. Its IUPAC name is methyl N-(3-bromo-4-fluorophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-bromo-4-fluorophenyl)carbamate
PubChem CID115661421
Molecular FormulaC8H7BrFNO2
Molecular Weight248.05 g/mol
Exact Mass246.96
IUPAC Namemethyl N-(3-bromo-4-fluorophenyl)carbamate
SMILESCOC(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C8H7BrFNO2/c1-13-8(12)11-5-2-3-7(10)6(9)4-5/h2-4H,1H3,(H,11,12)
InChIKeyXBBDXNKTRDEMNA-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(4-bromo-3-fluorophenyl)carbamate;molecular iodine
CID 159991921
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
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methyl N-(4-amino-3-bromophenyl)carbamate
CID 82861669
methyl N-(3-bromo-4-ethylphenyl)carbamate
CID 150278306
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea
CID 115663057
ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate
CID 143021974
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-bromo-4-fluorophenyl)carbamate?
The IUPAC name of methyl N-(3-bromo-4-fluorophenyl)carbamate (CID 115661421) is methyl N-(3-bromo-4-fluorophenyl)carbamate.
What is the SMILES notation for methyl N-(3-bromo-4-fluorophenyl)carbamate?
The canonical SMILES for methyl N-(3-bromo-4-fluorophenyl)carbamate is COC(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of methyl N-(3-bromo-4-fluorophenyl)carbamate?
The InChIKey is XBBDXNKTRDEMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO2/c1-13-8(12)11-5-2-3-7(10)6(9)4-5/h2-4H,1H3,(H,11,12).
What are the key properties of methyl N-(3-bromo-4-fluorophenyl)carbamate?
methyl N-(3-bromo-4-fluorophenyl)carbamate has a molecular weight of 248.05 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-bromo-4-fluorophenyl)carbamate is sourced from PubChem (CID 115661421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).