2-phenoxyethyl N-(3-chlorophenyl)carbamate

C15H14ClNO3 — CID 2244782

IUPAC2-phenoxyethyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCCOc1ccccc1
InChIInChI=1S/C15H14ClNO3/c16-12-5-4-6-13(11-12)17-15(18)20-10-9-19-14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,17,18)
InChIKeyMDYMNLXBTXRUGH-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.97
Rot. Bonds5

About 2-phenoxyethyl N-(3-chlorophenyl)carbamate

2-phenoxyethyl N-(3-chlorophenyl)carbamate (PubChem CID 2244782) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-phenoxyethyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-phenoxyethyl N-(3-chlorophenyl)carbamate
PubChem CID2244782
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-phenoxyethyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCCOc1ccccc1
InChIInChI=1S/C15H14ClNO3/c16-12-5-4-6-13(11-12)17-15(18)20-10-9-19-14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,17,18)
InChIKeyMDYMNLXBTXRUGH-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl N-(3-chlorophenyl)carbamate?
The IUPAC name of 2-phenoxyethyl N-(3-chlorophenyl)carbamate (CID 2244782) is 2-phenoxyethyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 2-phenoxyethyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 2-phenoxyethyl N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl N-(3-chlorophenyl)carbamate?
The InChIKey is MDYMNLXBTXRUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-12-5-4-6-13(11-12)17-15(18)20-10-9-19-14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,17,18).
What are the key properties of 2-phenoxyethyl N-(3-chlorophenyl)carbamate?
2-phenoxyethyl N-(3-chlorophenyl)carbamate has a molecular weight of 291.73 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 2244782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).