(2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide

C14H18BrFN2O2 — CID 120926844

IUPAC(2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H18BrFN2O2/c1-9-13(17-6-7-20-9)14(19)18-5-4-10-2-3-12(16)11(15)8-10/h2-3,8-9,13,17H,4-7H2,1H3,(H,18,19)/t9-,13+/m1/s1
InChIKeyBUPZGMKMLYIXMC-RNCFNFMXSA-N
MW345.21 g/mol
LogP1.62
Rot. Bonds4

About (2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120926844) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is (2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120926844
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name(2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H18BrFN2O2/c1-9-13(17-6-7-20-9)14(19)18-5-4-10-2-3-12(16)11(15)8-10/h2-3,8-9,13,17H,4-7H2,1H3,(H,18,19)/t9-,13+/m1/s1
InChIKeyBUPZGMKMLYIXMC-RNCFNFMXSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093492
N-[(3-bromo-5-fluorophenyl)methyl]morpholine-3-carboxamide
CID 121550409
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide
CID 118902195
N-[2-(3-bromo-2-fluorophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide
CID 118902232
tert-butyl (3R)-3-[(4-bromo-3,5-difluorophenyl)methylcarbamoyl]morpholine-4-carboxylate
CID 170764345
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 26493744
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 26493747
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 26493750
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 26493753
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 35604940
(E)-3-(5-bromo-2-fluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
CID 43064133
2-[2-(4-Fluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 43083705

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide (CID 120926844) is (2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCCc1ccc(F)c(Br)c1.
What is the InChIKey of (2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is BUPZGMKMLYIXMC-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-9-13(17-6-7-20-9)14(19)18-5-4-10-2-3-12(16)11(15)8-10/h2-3,8-9,13,17H,4-7H2,1H3,(H,18,19)/t9-,13+/m1/s1.
What are the key properties of (2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 345.21 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120926844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).