ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate

C9H8BrClFNO2 — CID 130542983

IUPACethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate
SMILESCCOC(=O)Nc1cc(F)c(Br)c(Cl)c1
InChIInChI=1S/C9H8BrClFNO2/c1-2-15-9(14)13-5-3-6(11)8(10)7(12)4-5/h3-4H,2H2,1H3,(H,13,14)
InChIKeyFLUNIKPJVKQNRH-UHFFFAOYSA-N
MW296.52 g/mol
LogP3.81
Rot. Bonds2

About ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate

ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate (PubChem CID 130542983) has the molecular formula C9H8BrClFNO2 and a molecular weight of 296.52 g/mol. Its IUPAC name is ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate
PubChem CID130542983
Molecular FormulaC9H8BrClFNO2
Molecular Weight296.52 g/mol
Exact Mass294.94
IUPAC Nameethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate
SMILESCCOC(=O)Nc1cc(F)c(Br)c(Cl)c1
InChIInChI=1S/C9H8BrClFNO2/c1-2-15-9(14)13-5-3-6(11)8(10)7(12)4-5/h3-4H,2H2,1H3,(H,13,14)
InChIKeyFLUNIKPJVKQNRH-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
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CID 130708506
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019009
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
ethyl N-(4-chloro-2-fluoro-5-sulfanylphenyl)carbamate
CID 139638488
ethyl N-(3-chloro-4-fluoroanilino)carbamate
CID 12787058
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
ethyl N-(2,3,4-trifluoro-6-iodophenyl)carbamate
CID 171470443
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
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ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate?
The IUPAC name of ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate (CID 130542983) is ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate.
What is the SMILES notation for ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate?
The canonical SMILES for ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate is CCOC(=O)Nc1cc(F)c(Br)c(Cl)c1.
What is the InChIKey of ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate?
The InChIKey is FLUNIKPJVKQNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFNO2/c1-2-15-9(14)13-5-3-6(11)8(10)7(12)4-5/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate?
ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate has a molecular weight of 296.52 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate is sourced from PubChem (CID 130542983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).