2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate

C17H17ClFNO2 — CID 6736788

IUPAC2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
SMILESO=C(NCCc1cccc(F)c1)OCCc1ccccc1Cl
InChIInChI=1S/C17H17ClFNO2/c18-16-7-2-1-5-14(16)9-11-22-17(21)20-10-8-13-4-3-6-15(19)12-13/h1-7,12H,8-11H2,(H,20,21)
InChIKeyOOIYTDAKYSPFJA-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.99
Rot. Bonds6

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

2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate (PubChem CID 6736788) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
PubChem CID6736788
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
SMILESO=C(NCCc1cccc(F)c1)OCCc1ccccc1Cl
InChIInChI=1S/C17H17ClFNO2/c18-16-7-2-1-5-14(16)9-11-22-17(21)20-10-8-13-4-3-6-15(19)12-13/h1-7,12H,8-11H2,(H,20,21)
InChIKeyOOIYTDAKYSPFJA-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxazolidinone, 5-((2-chlorophenyl)methyl)-
CID 3046889
ethyl N-[2-(2-chloro-6-fluorophenyl)ethyl]carbamate
CID 2804989
(2-chlorophenyl)methyl N-[(E)-1-phenylhept-2-enyl]carbamate
CID 5771793
5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate
CID 6734413
3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate
CID 6736615
2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
CID 6736712
tert-butyl N-[2-(2-chloro-4-fluorophenyl)ethyl]carbamate
CID 12117734
tert-butyl N-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate
CID 18434979
(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 23366848
2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate
CID 23548434
2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate
CID 23548435
2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate
CID 23548436

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The IUPAC name of 2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate (CID 6736788) is 2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for 2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The canonical SMILES for 2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate is O=C(NCCc1cccc(F)c1)OCCc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The InChIKey is OOIYTDAKYSPFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c18-16-7-2-1-5-14(16)9-11-22-17(21)20-10-8-13-4-3-6-15(19)12-13/h1-7,12H,8-11H2,(H,20,21).
What are the key properties of 2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate?
2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate has a molecular weight of 321.78 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 6736788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).