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

C12H12BrFN2O4 — CID 65437199

IUPAC4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)Nc2ccc(Br)c(F)c2)CCO1
InChIInChI=1S/C12H12BrFN2O4/c13-8-2-1-7(5-9(8)14)15-12(19)16-3-4-20-10(6-16)11(17)18/h1-2,5,10H,3-4,6H2,(H,15,19)(H,17,18)
InChIKeyDQRCATGVPZWSEN-UHFFFAOYSA-N
MW347.14 g/mol
LogP1.91
Rot. Bonds2

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

4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid (PubChem CID 65437199) has the molecular formula C12H12BrFN2O4 and a molecular weight of 347.14 g/mol. Its IUPAC name is 4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid
PubChem CID65437199
Molecular FormulaC12H12BrFN2O4
Molecular Weight347.14 g/mol
Exact Mass346.00
IUPAC Name4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)Nc2ccc(Br)c(F)c2)CCO1
InChIInChI=1S/C12H12BrFN2O4/c13-8-2-1-7(5-9(8)14)15-12(19)16-3-4-20-10(6-16)11(17)18/h1-2,5,10H,3-4,6H2,(H,15,19)(H,17,18)
InChIKeyDQRCATGVPZWSEN-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-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid 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

4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid
CID 81280527
N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 171854826
N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
CID 171854817
N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 171854816
N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
CID 171854822
(2R)-1-[(4-bromo-3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79006578
N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide
CID 171854841
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111475420
2-carbamothioyl-N-(4-chlorophenyl)morpholine-4-carboxamide
CID 79674938
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 86987031
2-carbamothioyl-N-phenylmorpholine-4-carboxamide
CID 79675023

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid (CID 65437199) is 4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)Nc2ccc(Br)c(F)c2)CCO1.
What is the InChIKey of 4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid?
The InChIKey is DQRCATGVPZWSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O4/c13-8-2-1-7(5-9(8)14)15-12(19)16-3-4-20-10(6-16)11(17)18/h1-2,5,10H,3-4,6H2,(H,15,19)(H,17,18).
What are the key properties of 4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid?
4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-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-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 65437199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).