2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C19H20BrFN2O2 — CID 9481641

IUPAC2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1cc(F)ccc1Br
InChIInChI=1S/C19H20BrFN2O2/c20-18-6-5-16(21)11-17(18)19(24)22-12-14-3-1-2-4-15(14)13-23-7-9-25-10-8-23/h1-6,11H,7-10,12-13H2,(H,22,24)
InChIKeyMCONNZNYMSZKLW-UHFFFAOYSA-N
MW407.28 g/mol
LogP3.35
Rot. Bonds5

About 2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 9481641) has the molecular formula C19H20BrFN2O2 and a molecular weight of 407.28 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID9481641
Molecular FormulaC19H20BrFN2O2
Molecular Weight407.28 g/mol
Exact Mass406.07
IUPAC Name2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1cc(F)ccc1Br
InChIInChI=1S/C19H20BrFN2O2/c20-18-6-5-16(21)11-17(18)19(24)22-12-14-3-1-2-4-15(14)13-23-7-9-25-10-8-23/h1-6,11H,7-10,12-13H2,(H,22,24)
InChIKeyMCONNZNYMSZKLW-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17494490
3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481167
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123
2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide
CID 55796389
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 24549403
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155
3-bromo-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-fluorobenzamide
CID 55715109
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 31444049
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 9481641) is 2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1CN1CCOCC1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is MCONNZNYMSZKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O2/c20-18-6-5-16(21)11-17(18)19(24)22-12-14-3-1-2-4-15(14)13-23-7-9-25-10-8-23/h1-6,11H,7-10,12-13H2,(H,22,24).
What are the key properties of 2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 407.28 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9481641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).