ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate

C11H13ClFNO2 — CID 66801676

IUPACethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c1-2-16-11(15)14-6-5-8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyPAGQAQKJHUQRCD-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.77
Rot. Bonds4

About ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate

ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate (PubChem CID 66801676) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate
PubChem CID66801676
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Nameethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c1-2-16-11(15)14-6-5-8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyPAGQAQKJHUQRCD-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-(2-phenylethyl)carbamate
CID 247630
Ethyl (3,4-dichlorobenzyl)carbamate
CID 896583
N-[3-(3-chlorophenyl)propyl]acetamide
CID 10774874
N-[2-(3-chlorophenyl)ethyl]acetamide
CID 4430301
ethyl N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
CID 155555652
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
CID 155559606
tert-butyl N-[2-(3,4-dichlorophenyl)ethyl]carbamate
CID 11818593
ethyl N-[2-(2-chloro-6-fluorophenyl)ethyl]carbamate
CID 2804989
N-(3-Chlorophenethyl)-2,2,2-trifluoroacetamide
CID 4621125
tert-butyl N-[(1S)-1-(4-chlorophenyl)-2-fluoroethyl]carbamate
CID 25030687
Ethyl 4-chlorobenzylcarbamate
CID 874364
Methyl (3-chlorophenethyl)carbamate
CID 897069

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate (CID 66801676) is ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate is CCOC(=O)NCCc1ccc(F)c(Cl)c1.
What is the InChIKey of ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate?
The InChIKey is PAGQAQKJHUQRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-2-16-11(15)14-6-5-8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate?
ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate has a molecular weight of 245.68 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(3-chloro-4-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 66801676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).