ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate

C10H11BrClNO3 — CID 134113322

IUPACethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
SMILESCCOC(=O)Nc1cc(Br)c(Cl)cc1OC
InChIInChI=1S/C10H11BrClNO3/c1-3-16-10(14)13-8-4-6(11)7(12)5-9(8)15-2/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyQGYZYUSJMFDQQJ-UHFFFAOYSA-N
MW308.56 g/mol
LogP3.68
Rot. Bonds3

About ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate

ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate (PubChem CID 134113322) has the molecular formula C10H11BrClNO3 and a molecular weight of 308.56 g/mol. Its IUPAC name is ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
PubChem CID134113322
Molecular FormulaC10H11BrClNO3
Molecular Weight308.56 g/mol
Exact Mass306.96
IUPAC Nameethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
SMILESCCOC(=O)Nc1cc(Br)c(Cl)cc1OC
InChIInChI=1S/C10H11BrClNO3/c1-3-16-10(14)13-8-4-6(11)7(12)5-9(8)15-2/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyQGYZYUSJMFDQQJ-UHFFFAOYSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate
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ethyl N-(2,4-dimethoxyphenyl)carbamate
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ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
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ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate
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methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
CID 42057269
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
(2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
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methyl 5-bromo-4-chloro-2-methoxybenzoate
CID 26370082
ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate
CID 110179148

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate?
The IUPAC name of ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate (CID 134113322) is ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate?
The canonical SMILES for ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate is CCOC(=O)Nc1cc(Br)c(Cl)cc1OC.
What is the InChIKey of ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate?
The InChIKey is QGYZYUSJMFDQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO3/c1-3-16-10(14)13-8-4-6(11)7(12)5-9(8)15-2/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate?
ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate has a molecular weight of 308.56 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate is sourced from PubChem (CID 134113322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).