2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate

C15H13Br2NO3 — CID 2244794

IUPAC2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCOc1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2NO3/c16-11-6-7-14(13(17)10-11)20-8-9-21-15(19)18-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyRGOMYJDEXZQRRC-UHFFFAOYSA-N
MW415.08 g/mol
LogP4.84
Rot. Bonds5

About 2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate

2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate (PubChem CID 2244794) has the molecular formula C15H13Br2NO3 and a molecular weight of 415.08 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate
PubChem CID2244794
Molecular FormulaC15H13Br2NO3
Molecular Weight415.08 g/mol
Exact Mass412.93
IUPAC Name2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCOc1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2NO3/c16-11-6-7-14(13(17)10-11)20-8-9-21-15(19)18-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyRGOMYJDEXZQRRC-UHFFFAOYSA-N
XLogP4.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.08
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate
CID 2244801
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072648
2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 17066936
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784
4-(2,4-dibromophenoxy)butanehydrazide
CID 63576618
benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate
CID 4935845
[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
CID 64718432
3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide
CID 54781131
1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
CID 59907339
2-ethoxyethyl N-phenylcarbamate
CID 4101389

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate?
The IUPAC name of 2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate (CID 2244794) is 2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate.
What is the SMILES notation for 2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate?
The canonical SMILES for 2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCCOc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate?
The InChIKey is RGOMYJDEXZQRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO3/c16-11-6-7-14(13(17)10-11)20-8-9-21-15(19)18-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate?
2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate has a molecular weight of 415.08 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate is sourced from PubChem (CID 2244794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).