[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate

C15H17BrFNO4 — CID 8837351

IUPAC[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2ccc(F)cc2Br)C[C@H](C)O1
InChIInChI=1S/C15H17BrFNO4/c1-9-6-18(7-10(2)22-9)14(19)8-21-15(20)12-4-3-11(17)5-13(12)16/h3-5,9-10H,6-8H2,1-2H3/t9-,10+
InChIKeyAVSVCLPISPBWPD-AOOOYVTPSA-N
MW374.21 g/mol
LogP2.38
Rot. Bonds3

About [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate (PubChem CID 8837351) has the molecular formula C15H17BrFNO4 and a molecular weight of 374.21 g/mol. Its IUPAC name is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate.

Molecular Properties

Compound Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate
PubChem CID8837351
Molecular FormulaC15H17BrFNO4
Molecular Weight374.21 g/mol
Exact Mass373.03
IUPAC Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2ccc(F)cc2Br)C[C@H](C)O1
InChIInChI=1S/C15H17BrFNO4/c1-9-6-18(7-10(2)22-9)14(19)8-21-15(20)12-4-3-11(17)5-13(12)16/h3-5,9-10H,6-8H2,1-2H3/t9-,10+
InChIKeyAVSVCLPISPBWPD-AOOOYVTPSA-N
XLogP2.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2346530
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7509056
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2513155
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-bromobenzoate
CID 23854351
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 7990358
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16529275
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503895
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-benzoylbenzoate
CID 7470890
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 42988833
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518493

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate?
The IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate (CID 8837351) is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate.
What is the SMILES notation for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate?
The canonical SMILES for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate is C[C@@H]1CN(C(=O)COC(=O)c2ccc(F)cc2Br)C[C@H](C)O1.
What is the InChIKey of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate?
The InChIKey is AVSVCLPISPBWPD-AOOOYVTPSA-N. The full InChI is InChI=1S/C15H17BrFNO4/c1-9-6-18(7-10(2)22-9)14(19)8-21-15(20)12-4-3-11(17)5-13(12)16/h3-5,9-10H,6-8H2,1-2H3/t9-,10+.
What are the key properties of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate?
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate has a molecular weight of 374.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate is sourced from PubChem (CID 8837351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).