2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide

C16H23BrN2O2 — CID 46413957

IUPAC2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
SMILESCC1CN(C(C)CNC(=O)c2ccccc2Br)CC(C)O1
InChIInChI=1S/C16H23BrN2O2/c1-11(19-9-12(2)21-13(3)10-19)8-18-16(20)14-6-4-5-7-15(14)17/h4-7,11-13H,8-10H2,1-3H3,(H,18,20)
InChIKeyUUKBYLOVLBPOEZ-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.68
Rot. Bonds4

About 2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide

2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide (PubChem CID 46413957) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
PubChem CID46413957
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
SMILESCC1CN(C(C)CNC(=O)c2ccccc2Br)CC(C)O1
InChIInChI=1S/C16H23BrN2O2/c1-11(19-9-12(2)21-13(3)10-19)8-18-16(20)14-6-4-5-7-15(14)17/h4-7,11-13H,8-10H2,1-3H3,(H,18,20)
InChIKeyUUKBYLOVLBPOEZ-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-2-carboxamide
CID 98718393
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 98718599
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-hydroxy-5-methylbenzamide
CID 46414109
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide
CID 46439567
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3-methylfuran-2-carboxamide
CID 47028009
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
CID 124736359
2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide
CID 94647153
5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide
CID 94022762
3-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
CID 42958339
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide (CID 46413957) is 2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide is CC1CN(C(C)CNC(=O)c2ccccc2Br)CC(C)O1.
What is the InChIKey of 2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide?
The InChIKey is UUKBYLOVLBPOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-11(19-9-12(2)21-13(3)10-19)8-18-16(20)14-6-4-5-7-15(14)17/h4-7,11-13H,8-10H2,1-3H3,(H,18,20).
What are the key properties of 2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide?
2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide has a molecular weight of 355.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide is sourced from PubChem (CID 46413957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).