2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate

C12H16ClNO4 — CID 113360064

IUPAC2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OCCOCCCl
InChIInChI=1S/C12H16ClNO4/c1-16-11-5-3-2-4-10(11)14-12(15)18-9-8-17-7-6-13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyCMSWVUDDYIQWTA-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.50
Rot. Bonds7

About 2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate

2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate (PubChem CID 113360064) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate
PubChem CID113360064
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OCCOCCCl
InChIInChI=1S/C12H16ClNO4/c1-16-11-5-3-2-4-10(11)14-12(15)18-9-8-17-7-6-13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyCMSWVUDDYIQWTA-UHFFFAOYSA-N
XLogP2.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate
CID 113360062
2-morpholin-4-ylethyl N-(2-methoxyphenyl)carbamate
CID 3087022
ethane;(2-methoxyphenyl)urea
CID 143063924
chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate
CID 164652536
(2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate
CID 54336409
propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate
CID 58904598
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
2-(3-aminopropoxy)-N-(2-methoxyphenyl)acetamide
CID 62343841
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate
CID 58904602
[3-[(2-methoxyphenyl)carbamoyloxy]phenyl] N-(2-methoxyphenyl)carbamate
CID 4848536
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate?
The IUPAC name of 2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate (CID 113360064) is 2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for 2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate?
The canonical SMILES for 2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate is COc1ccccc1NC(=O)OCCOCCCl.
What is the InChIKey of 2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate?
The InChIKey is CMSWVUDDYIQWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-16-11-5-3-2-4-10(11)14-12(15)18-9-8-17-7-6-13/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of 2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate?
2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate has a molecular weight of 273.72 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 113360064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).