N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide

C20H23BrN2O2 — CID 55623885

IUPACN-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)CC(C)O1
InChIInChI=1S/C20H23BrN2O2/c1-14-11-23(12-15(2)25-14)13-16-6-8-17(9-7-16)20(24)22-19-5-3-4-18(21)10-19/h3-10,14-15H,11-13H2,1-2H3,(H,22,24)
InChIKeyAUVUQWRFLSITPH-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.31
Rot. Bonds4

About N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide

N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide (PubChem CID 55623885) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
PubChem CID55623885
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC NameN-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)CC(C)O1
InChIInChI=1S/C20H23BrN2O2/c1-14-11-23(12-15(2)25-14)13-16-6-8-17(9-7-16)20(24)22-19-5-3-4-18(21)10-19/h3-10,14-15H,11-13H2,1-2H3,(H,22,24)
InChIKeyAUVUQWRFLSITPH-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55625307
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 55622821
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 146477166
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 167765653
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
N-(6-amino-3-pyridinyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119515670
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55624076
N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 47027087
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424589
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3-bromophenyl)benzamide
CID 43919510

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The IUPAC name of N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide (CID 55623885) is N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The canonical SMILES for N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide is CC1CN(Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)CC(C)O1.
What is the InChIKey of N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The InChIKey is AUVUQWRFLSITPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-14-11-23(12-15(2)25-14)13-16-6-8-17(9-7-16)20(24)22-19-5-3-4-18(21)10-19/h3-10,14-15H,11-13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide has a molecular weight of 403.32 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide is sourced from PubChem (CID 55623885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).