(3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate

C11H14BrFN2O2 — CID 126518805

IUPAC(3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate
SMILESCN(C)CCNC(=O)Oc1cc(F)cc(Br)c1
InChIInChI=1S/C11H14BrFN2O2/c1-15(2)4-3-14-11(16)17-10-6-8(12)5-9(13)7-10/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyUDGQQXHKPVEUGB-UHFFFAOYSA-N
MW305.15 g/mol
LogP2.24
Rot. Bonds4

About (3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate

(3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate (PubChem CID 126518805) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate
PubChem CID126518805
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC Name(3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate
SMILESCN(C)CCNC(=O)Oc1cc(F)cc(Br)c1
InChIInChI=1S/C11H14BrFN2O2/c1-15(2)4-3-14-11(16)17-10-6-8(12)5-9(13)7-10/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyUDGQQXHKPVEUGB-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate?
The IUPAC name of (3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate (CID 126518805) is (3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate.
What is the SMILES notation for (3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate?
The canonical SMILES for (3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate is CN(C)CCNC(=O)Oc1cc(F)cc(Br)c1.
What is the InChIKey of (3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate?
The InChIKey is UDGQQXHKPVEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-15(2)4-3-14-11(16)17-10-6-8(12)5-9(13)7-10/h5-7H,3-4H2,1-2H3,(H,14,16).
What are the key properties of (3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate?
(3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate has a molecular weight of 305.15 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate is sourced from PubChem (CID 126518805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).