2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate

C15H11Br2Cl2NO3 — CID 2244801

IUPAC2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OCCOc1ccc(Br)cc1Br
InChIInChI=1S/C15H11Br2Cl2NO3/c16-9-1-4-14(11(17)7-9)22-5-6-23-15(21)20-10-2-3-12(18)13(19)8-10/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyMGLUHXPSDFAIBH-UHFFFAOYSA-N
MW483.97 g/mol
LogP6.15
Rot. Bonds5

About 2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate

2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 2244801) has the molecular formula C15H11Br2Cl2NO3 and a molecular weight of 483.97 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate
PubChem CID2244801
Molecular FormulaC15H11Br2Cl2NO3
Molecular Weight483.97 g/mol
Exact Mass480.85
IUPAC Name2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OCCOc1ccc(Br)cc1Br
InChIInChI=1S/C15H11Br2Cl2NO3/c16-9-1-4-14(11(17)7-9)22-5-6-23-15(21)20-10-2-3-12(18)13(19)8-10/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyMGLUHXPSDFAIBH-UHFFFAOYSA-N
XLogP6.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.97
LogP ≤ 56.15
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-phenylcarbamate
CID 2244794
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl propanoate
CID 159240658
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl 3-methylbutanoate
CID 159240660
3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide
CID 17339348
2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
CID 79337426
5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17357254
N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide
CID 17430448
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784
4-(2,4-dibromophenoxy)butanehydrazide
CID 63576618
[(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate
CID 134122952
2-chloroethyl N-[3-chloro-4-(2-chloroethyl)phenyl]carbamate
CID 173171324

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of 2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate (CID 2244801) is 2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for 2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for 2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)c(Cl)c1)OCCOc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is MGLUHXPSDFAIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2Cl2NO3/c16-9-1-4-14(11(17)7-9)22-5-6-23-15(21)20-10-2-3-12(18)13(19)8-10/h1-4,7-8H,5-6H2,(H,20,21).
What are the key properties of 2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate?
2-(2,4-dibromophenoxy)ethyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 483.97 g/mol, XLogP of 6.15, 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-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 2244801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).