2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate

C15H13Cl2NO3 — CID 2244784

IUPAC2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCCOc1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO3/c16-11-4-3-5-12(10-11)18-15(19)21-9-8-20-14-7-2-1-6-13(14)17/h1-7,10H,8-9H2,(H,18,19)
InChIKeyQSMWUBBXBPCZBS-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.62
Rot. Bonds5

About 2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate

2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate (PubChem CID 2244784) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
PubChem CID2244784
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCCOc1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO3/c16-11-4-3-5-12(10-11)18-15(19)21-9-8-20-14-7-2-1-6-13(14)17/h1-7,10H,8-9H2,(H,18,19)
InChIKeyQSMWUBBXBPCZBS-UHFFFAOYSA-N
XLogP4.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.62
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-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 35962342
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide
CID 16787023
2-[bis[2-[(3-chlorophenyl)carbamoyloxy]ethyl]azaniumyl]acetate
CID 27108720
2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
CID 79337718
2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate
CID 71675480
methyl N-(3-chlorophenyl)carbamate
CID 16529
[3-chloro-2,2-bis(chloromethyl)propyl] N-(3-chlorophenyl)carbamate
CID 819742
2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate
CID 2244794
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate (CID 2244784) is 2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)OCCOc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate?
The InChIKey is QSMWUBBXBPCZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c16-11-4-3-5-12(10-11)18-15(19)21-9-8-20-14-7-2-1-6-13(14)17/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate?
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate has a molecular weight of 326.18 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 2244784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).