(3-amino-5-bromophenyl)-morpholin-4-ylmethanone

C11H13BrN2O2 — CID 75537166

IUPAC(3-amino-5-bromophenyl)-morpholin-4-ylmethanone
SMILESNc1cc(Br)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C11H13BrN2O2/c12-9-5-8(6-10(13)7-9)11(15)14-1-3-16-4-2-14/h5-7H,1-4,13H2
InChIKeyUIPZZRCRZDBQFI-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.50
Rot. Bonds1

About (3-amino-5-bromophenyl)-morpholin-4-ylmethanone

(3-amino-5-bromophenyl)-morpholin-4-ylmethanone (PubChem CID 75537166) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (3-amino-5-bromophenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-amino-5-bromophenyl)-morpholin-4-ylmethanone
PubChem CID75537166
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(3-amino-5-bromophenyl)-morpholin-4-ylmethanone
SMILESNc1cc(Br)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C11H13BrN2O2/c12-9-5-8(6-10(13)7-9)11(15)14-1-3-16-4-2-14/h5-7H,1-4,13H2
InChIKeyUIPZZRCRZDBQFI-UHFFFAOYSA-N
XLogP1.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-5-(morpholine-4-carbonyl)phenyl]boronic acid
CID 131697692
(3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone
CID 164895388
[3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone
CID 171121608
[4-(3,5-diaminobenzoyl)piperazin-1-yl]-(3,5-diaminophenyl)methanone
CID 58291381
(3-amino-5-bromophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210175
2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
methyl 4-(3-amino-5-bromobenzoyl)morpholine-3-carboxylate
CID 104774362
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
(3-amino-5-bromophenyl)-(oxolan-3-yl)methanone
CID 116597079
N-(3,5-dibromobenzoyl)morpholine-4-carboxamide
CID 2741464
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromophenyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-amino-5-bromophenyl)-morpholin-4-ylmethanone (CID 75537166) is (3-amino-5-bromophenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-amino-5-bromophenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-amino-5-bromophenyl)-morpholin-4-ylmethanone is Nc1cc(Br)cc(C(=O)N2CCOCC2)c1.
What is the InChIKey of (3-amino-5-bromophenyl)-morpholin-4-ylmethanone?
The InChIKey is UIPZZRCRZDBQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-9-5-8(6-10(13)7-9)11(15)14-1-3-16-4-2-14/h5-7H,1-4,13H2.
What are the key properties of (3-amino-5-bromophenyl)-morpholin-4-ylmethanone?
(3-amino-5-bromophenyl)-morpholin-4-ylmethanone has a molecular weight of 285.14 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromophenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 75537166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).