(4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate

C10H11BrFNO2 — CID 134326947

IUPAC(4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1cc(C)c(Br)c(F)c1
InChIInChI=1S/C10H11BrFNO2/c1-6-3-7(4-8(12)9(6)11)5-15-10(14)13-2/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyIDWMQCPIJRQSLO-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.75
Rot. Bonds2

About (4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate

(4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate (PubChem CID 134326947) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is (4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate
PubChem CID134326947
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name(4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1cc(C)c(Br)c(F)c1
InChIInChI=1S/C10H11BrFNO2/c1-6-3-7(4-8(12)9(6)11)5-15-10(14)13-2/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyIDWMQCPIJRQSLO-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate?
The IUPAC name of (4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate (CID 134326947) is (4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate.
What is the SMILES notation for (4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate?
The canonical SMILES for (4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate is CNC(=O)OCc1cc(C)c(Br)c(F)c1.
What is the InChIKey of (4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate?
The InChIKey is IDWMQCPIJRQSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-6-3-7(4-8(12)9(6)11)5-15-10(14)13-2/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of (4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate?
(4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate has a molecular weight of 276.11 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluoro-5-methylphenyl)methyl N-methylcarbamate is sourced from PubChem (CID 134326947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).