3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C19H21BrN2O2 — CID 9481167

IUPAC3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C19H21BrN2O2/c20-18-7-3-6-15(12-18)19(23)21-13-16-4-1-2-5-17(16)14-22-8-10-24-11-9-22/h1-7,12H,8-11,13-14H2,(H,21,23)
InChIKeyURQCFNUGCDCYDA-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.21
Rot. Bonds5

About 3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 9481167) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID9481167
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C19H21BrN2O2/c20-18-7-3-6-15(12-18)19(23)21-13-16-4-1-2-5-17(16)14-22-8-10-24-11-9-22/h1-7,12H,8-11,13-14H2,(H,21,23)
InChIKeyURQCFNUGCDCYDA-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55882954
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide
CID 86711001
N-ethyl-3-[[[N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111374839
2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481641
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide
CID 78810384
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-iodobenzamide
CID 55664630

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 9481167) is 3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1CN1CCOCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is URQCFNUGCDCYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c20-18-7-3-6-15(12-18)19(23)21-13-16-4-1-2-5-17(16)14-22-8-10-24-11-9-22/h1-7,12H,8-11,13-14H2,(H,21,23).
What are the key properties of 3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 389.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9481167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).