4-(2-amino-4-bromophenyl)morpholine-3-carboxamide

C11H14BrN3O2 — CID 83094303

IUPAC4-(2-amino-4-bromophenyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1ccc(Br)cc1N
InChIInChI=1S/C11H14BrN3O2/c12-7-1-2-9(8(13)5-7)15-3-4-17-6-10(15)11(14)16/h1-2,5,10H,3-4,6,13H2,(H2,14,16)
InChIKeyLWNNLVVLZDFLFZ-UHFFFAOYSA-N
MW300.16 g/mol
LogP0.72
Rot. Bonds2

About 4-(2-amino-4-bromophenyl)morpholine-3-carboxamide

4-(2-amino-4-bromophenyl)morpholine-3-carboxamide (PubChem CID 83094303) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 4-(2-amino-4-bromophenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-4-bromophenyl)morpholine-3-carboxamide
PubChem CID83094303
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name4-(2-amino-4-bromophenyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1ccc(Br)cc1N
InChIInChI=1S/C11H14BrN3O2/c12-7-1-2-9(8(13)5-7)15-3-4-17-6-10(15)11(14)16/h1-2,5,10H,3-4,6,13H2,(H2,14,16)
InChIKeyLWNNLVVLZDFLFZ-UHFFFAOYSA-N
XLogP0.72
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-bromophenyl)morpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-4-bromophenyl)morpholine-3-carboxamide (CID 83094303) is 4-(2-amino-4-bromophenyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-4-bromophenyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-4-bromophenyl)morpholine-3-carboxamide is NC(=O)C1COCCN1c1ccc(Br)cc1N.
What is the InChIKey of 4-(2-amino-4-bromophenyl)morpholine-3-carboxamide?
The InChIKey is LWNNLVVLZDFLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-7-1-2-9(8(13)5-7)15-3-4-17-6-10(15)11(14)16/h1-2,5,10H,3-4,6,13H2,(H2,14,16).
What are the key properties of 4-(2-amino-4-bromophenyl)morpholine-3-carboxamide?
4-(2-amino-4-bromophenyl)morpholine-3-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-bromophenyl)morpholine-3-carboxamide is sourced from PubChem (CID 83094303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).