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

C17H17BrFNO2 — CID 6736622

IUPAC2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
SMILESO=C(NCCc1cccc(F)c1)OCCc1ccc(Br)cc1
InChIInChI=1S/C17H17BrFNO2/c18-15-6-4-13(5-7-15)9-11-22-17(21)20-10-8-14-2-1-3-16(19)12-14/h1-7,12H,8-11H2,(H,20,21)
InChIKeyFVQQJJXQADRFOE-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.10
Rot. Bonds6

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

2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate (PubChem CID 6736622) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
PubChem CID6736622
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
SMILESO=C(NCCc1cccc(F)c1)OCCc1ccc(Br)cc1
InChIInChI=1S/C17H17BrFNO2/c18-15-6-4-13(5-7-15)9-11-22-17(21)20-10-8-14-2-1-3-16(19)12-14/h1-7,12H,8-11H2,(H,20,21)
InChIKeyFVQQJJXQADRFOE-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The IUPAC name of 2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate (CID 6736622) is 2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for 2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The canonical SMILES for 2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate is O=C(NCCc1cccc(F)c1)OCCc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The InChIKey is FVQQJJXQADRFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c18-15-6-4-13(5-7-15)9-11-22-17(21)20-10-8-14-2-1-3-16(19)12-14/h1-7,12H,8-11H2,(H,20,21).
What are the key properties of 2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate?
2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate has a molecular weight of 366.23 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 6736622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).