4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid

C12H12BrClN2O4 — CID 81280527

IUPAC4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)Nc2cc(Cl)ccc2Br)CCO1
InChIInChI=1S/C12H12BrClN2O4/c13-8-2-1-7(14)5-9(8)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)
InChIKeyXEAQKCMSIYBSBD-UHFFFAOYSA-N
MW363.60 g/mol
LogP2.42
Rot. Bonds2

About 4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid

4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid (PubChem CID 81280527) has the molecular formula C12H12BrClN2O4 and a molecular weight of 363.60 g/mol. Its IUPAC name is 4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid
PubChem CID81280527
Molecular FormulaC12H12BrClN2O4
Molecular Weight363.60 g/mol
Exact Mass361.97
IUPAC Name4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)Nc2cc(Cl)ccc2Br)CCO1
InChIInChI=1S/C12H12BrClN2O4/c13-8-2-1-7(14)5-9(8)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)
InChIKeyXEAQKCMSIYBSBD-UHFFFAOYSA-N
XLogP2.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.60
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid
CID 65437199
N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 81273796
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
2-carbamothioyl-N-(4-chlorophenyl)morpholine-4-carboxamide
CID 79674938
1-[(2-bromo-5-chlorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 81280174
(2S)-4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 129415258
2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434437
N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide
CID 81272029
1-[(2,5-dibromophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 61468314
4-bromo-3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)benzoic acid
CID 107814227
1-[(2-bromo-5-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82766636
4-bromo-3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 107814389

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid (CID 81280527) is 4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)Nc2cc(Cl)ccc2Br)CCO1.
What is the InChIKey of 4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid?
The InChIKey is XEAQKCMSIYBSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O4/c13-8-2-1-7(14)5-9(8)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-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid?
4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid has a molecular weight of 363.60 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 81280527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).