(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone

C13H16BrNO2 — CID 43420926

IUPAC(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Br)c2)C(C)CO1
InChIInChI=1S/C13H16BrNO2/c1-9-8-17-10(2)7-15(9)13(16)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeySCJKTEZGILFBEF-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.70
Rot. Bonds1

About (3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone

(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 43420926) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is (3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID43420926
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Br)c2)C(C)CO1
InChIInChI=1S/C13H16BrNO2/c1-9-8-17-10(2)7-15(9)13(16)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeySCJKTEZGILFBEF-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone 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

(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
(2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone
CID 110644011
(3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 104851930
(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 51077388
[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 51077390
3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 94051447
4-(2,5-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one
CID 103612536
(2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60817027
(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43424620
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420928
N-(3-acetylphenyl)-2,5-dimethylmorpholine-4-carboxamide
CID 61345863

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 43420926) is (3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cccc(Br)c2)C(C)CO1.
What is the InChIKey of (3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is SCJKTEZGILFBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-9-8-17-10(2)7-15(9)13(16)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of (3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 298.18 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43420926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).