ethyl N-(5-bromo-2,4-difluorophenyl)carbamate

C9H8BrF2NO2 — CID 102855180

IUPACethyl N-(5-bromo-2,4-difluorophenyl)carbamate
SMILESCCOC(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C9H8BrF2NO2/c1-2-15-9(14)13-8-3-5(10)6(11)4-7(8)12/h3-4H,2H2,1H3,(H,13,14)
InChIKeyWQCCLLPJTSDZLA-UHFFFAOYSA-N
MW280.07 g/mol
LogP3.30
Rot. Bonds2

About ethyl N-(5-bromo-2,4-difluorophenyl)carbamate

ethyl N-(5-bromo-2,4-difluorophenyl)carbamate (PubChem CID 102855180) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is ethyl N-(5-bromo-2,4-difluorophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-bromo-2,4-difluorophenyl)carbamate
PubChem CID102855180
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Nameethyl N-(5-bromo-2,4-difluorophenyl)carbamate
SMILESCCOC(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C9H8BrF2NO2/c1-2-15-9(14)13-8-3-5(10)6(11)4-7(8)12/h3-4H,2H2,1H3,(H,13,14)
InChIKeyWQCCLLPJTSDZLA-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate
CID 11245619
ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-2-oxoacetate
CID 107593469
ethyl N-(4-chloro-2-fluoro-5-sulfanylphenyl)carbamate
CID 139638488
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
CID 51178974
2-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylpentanamide
CID 102853754
ethyl 5-bromo-2,4-difluorobenzoate
CID 79018456
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid
CID 102854417
2-(5-bromo-2,4-difluoroanilino)-2-oxoacetic acid
CID 102854660
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-ethylbutanamide
CID 107611725
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
ethyl 2-[(4-bromo-2,5-difluoroanilino)methyl]prop-2-enoate
CID 107613453
N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide
CID 102854031

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-bromo-2,4-difluorophenyl)carbamate?
The IUPAC name of ethyl N-(5-bromo-2,4-difluorophenyl)carbamate (CID 102855180) is ethyl N-(5-bromo-2,4-difluorophenyl)carbamate.
What is the SMILES notation for ethyl N-(5-bromo-2,4-difluorophenyl)carbamate?
The canonical SMILES for ethyl N-(5-bromo-2,4-difluorophenyl)carbamate is CCOC(=O)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of ethyl N-(5-bromo-2,4-difluorophenyl)carbamate?
The InChIKey is WQCCLLPJTSDZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c1-2-15-9(14)13-8-3-5(10)6(11)4-7(8)12/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of ethyl N-(5-bromo-2,4-difluorophenyl)carbamate?
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate has a molecular weight of 280.07 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-bromo-2,4-difluorophenyl)carbamate is sourced from PubChem (CID 102855180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).