(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide

C14H18BrFN2O2 — CID 124619588

IUPAC(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CNCCO1
InChIInChI=1S/C14H18BrFN2O2/c1-2-18(14(19)13-8-17-5-6-20-13)9-10-7-11(15)3-4-12(10)16/h3-4,7,13,17H,2,5-6,8-9H2,1H3/t13-/m1/s1
InChIKeyJPFMUMZDHFOXHA-CYBMUJFWSA-N
MW345.21 g/mol
LogP1.93
Rot. Bonds4

About (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide

(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide (PubChem CID 124619588) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide
PubChem CID124619588
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CNCCO1
InChIInChI=1S/C14H18BrFN2O2/c1-2-18(14(19)13-8-17-5-6-20-13)9-10-7-11(15)3-4-12(10)16/h3-4,7,13,17H,2,5-6,8-9H2,1H3/t13-/m1/s1
InChIKeyJPFMUMZDHFOXHA-CYBMUJFWSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide (CID 124619588) is (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide is CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CNCCO1.
What is the InChIKey of (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide?
The InChIKey is JPFMUMZDHFOXHA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-2-18(14(19)13-8-17-5-6-20-13)9-10-7-11(15)3-4-12(10)16/h3-4,7,13,17H,2,5-6,8-9H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide?
(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide has a molecular weight of 345.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-2-carboxamide is sourced from PubChem (CID 124619588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).