4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid

C12H12BrFN2O4 — CID 107601863

IUPAC4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C12H12BrFN2O4/c13-7-2-1-3-8(14)10(7)15-12(19)16-4-5-20-6-9(16)11(17)18/h1-3,9H,4-6H2,(H,15,19)(H,17,18)
InChIKeyUWBFWDIVNROEPR-UHFFFAOYSA-N
MW347.14 g/mol
LogP1.91
Rot. Bonds2

About 4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid

4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid (PubChem CID 107601863) has the molecular formula C12H12BrFN2O4 and a molecular weight of 347.14 g/mol. Its IUPAC name is 4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid
PubChem CID107601863
Molecular FormulaC12H12BrFN2O4
Molecular Weight347.14 g/mol
Exact Mass346.00
IUPAC Name4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C12H12BrFN2O4/c13-7-2-1-3-8(14)10(7)15-12(19)16-4-5-20-6-9(16)11(17)18/h1-3,9H,4-6H2,(H,15,19)(H,17,18)
InChIKeyUWBFWDIVNROEPR-UHFFFAOYSA-N
XLogP1.91
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.14
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid with MolForge

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Related Compounds

1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107601975
4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid
CID 107013662
1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 107601918
4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 114559720
(3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 124513575
(3S)-4-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125133540
(3S)-4-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125133538
(2S)-1-[(2,6-dibromophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 107601792
(3R)-4-[(3R)-3-acetamido-3-(2,6-difluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 126454909
(3S)-N-(4-bromo-2,6-difluorophenyl)-3-methylmorpholine-4-carboxamide
CID 99812243
4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 119216837
4-[3-(2-fluorophenyl)but-2-enoyl]morpholine-3-carboxylic acid
CID 126790389

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid (CID 107601863) is 4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)Nc1c(F)cccc1Br.
What is the InChIKey of 4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid?
The InChIKey is UWBFWDIVNROEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O4/c13-7-2-1-3-8(14)10(7)15-12(19)16-4-5-20-6-9(16)11(17)18/h1-3,9H,4-6H2,(H,15,19)(H,17,18).
What are the key properties of 4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid?
4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid has a molecular weight of 347.14 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 107601863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).