4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

C20H23BrN2O2 — CID 30834490

IUPAC4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCOCC2)cc1
InChIInChI=1S/C20H23BrN2O2/c1-15-2-4-16(5-3-15)19(23-10-12-25-13-11-23)14-22-20(24)17-6-8-18(21)9-7-17/h2-9,19H,10-14H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyNUVWSTFTUGWJGS-LJQANCHMSA-N
MW403.32 g/mol
LogP3.56
Rot. Bonds5

About 4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 30834490) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID30834490
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCOCC2)cc1
InChIInChI=1S/C20H23BrN2O2/c1-15-2-4-16(5-3-15)19(23-10-12-25-13-11-23)14-22-20(24)17-6-8-18(21)9-7-17/h2-9,19H,10-14H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyNUVWSTFTUGWJGS-LJQANCHMSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
4-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575734
4-bromo-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 24983116
4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 92627792
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride
CID 119946754
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (CID 30834490) is 4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCOCC2)cc1.
What is the InChIKey of 4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is NUVWSTFTUGWJGS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-15-2-4-16(5-3-15)19(23-10-12-25-13-11-23)14-22-20(24)17-6-8-18(21)9-7-17/h2-9,19H,10-14H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of 4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 403.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 30834490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).