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

C10H12BrNO2 — CID 150278306

IUPACmethyl N-(3-bromo-4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OC)cc1Br
InChIInChI=1S/C10H12BrNO2/c1-3-7-4-5-8(6-9(7)11)12-10(13)14-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyGFASSYXDIIIVLF-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.19
Rot. Bonds2

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

methyl N-(3-bromo-4-ethylphenyl)carbamate (PubChem CID 150278306) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is methyl N-(3-bromo-4-ethylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-bromo-4-ethylphenyl)carbamate
PubChem CID150278306
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Namemethyl N-(3-bromo-4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OC)cc1Br
InChIInChI=1S/C10H12BrNO2/c1-3-7-4-5-8(6-9(7)11)12-10(13)14-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyGFASSYXDIIIVLF-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl N-(4-bromo-3-fluorophenyl)carbamate;molecular iodine
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methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
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methyl N-(4-bromo-3-nitrophenyl)carbamate
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methyl N-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]carbamate
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N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
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methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-(3-bromo-4-ethylphenyl)carbamate?
The IUPAC name of methyl N-(3-bromo-4-ethylphenyl)carbamate (CID 150278306) is methyl N-(3-bromo-4-ethylphenyl)carbamate.
What is the SMILES notation for methyl N-(3-bromo-4-ethylphenyl)carbamate?
The canonical SMILES for methyl N-(3-bromo-4-ethylphenyl)carbamate is CCc1ccc(NC(=O)OC)cc1Br.
What is the InChIKey of methyl N-(3-bromo-4-ethylphenyl)carbamate?
The InChIKey is GFASSYXDIIIVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-3-7-4-5-8(6-9(7)11)12-10(13)14-2/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of methyl N-(3-bromo-4-ethylphenyl)carbamate?
methyl N-(3-bromo-4-ethylphenyl)carbamate has a molecular weight of 258.11 g/mol, XLogP of 3.19, 2 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-ethylphenyl)carbamate is sourced from PubChem (CID 150278306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).