N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide

C23H28FN3O3 — CID 166212710

IUPACN-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NCc1cc(F)ccc1N1CCOCC1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H28FN3O3/c24-21-4-5-22(27-8-12-30-13-9-27)20(15-21)16-25-23(28)19-3-1-2-18(14-19)17-26-6-10-29-11-7-26/h1-5,14-15H,6-13,16-17H2,(H,25,28)
InChIKeyJRBQIBMBVUGOPL-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.42
Rot. Bonds6

About N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide

N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 166212710) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide
PubChem CID166212710
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NCc1cc(F)ccc1N1CCOCC1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H28FN3O3/c24-21-4-5-22(27-8-12-30-13-9-27)20(15-21)16-25-23(28)19-3-1-2-18(14-19)17-26-6-10-29-11-7-26/h1-5,14-15H,6-13,16-17H2,(H,25,28)
InChIKeyJRBQIBMBVUGOPL-UHFFFAOYSA-N
XLogP2.42
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858807
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 43910024
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724703
3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481167
3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide
CID 111107185
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
3-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46778635

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide (CID 166212710) is N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide is O=C(NCc1cc(F)ccc1N1CCOCC1)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is JRBQIBMBVUGOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c24-21-4-5-22(27-8-12-30-13-9-27)20(15-21)16-25-23(28)19-3-1-2-18(14-19)17-26-6-10-29-11-7-26/h1-5,14-15H,6-13,16-17H2,(H,25,28).
What are the key properties of N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide?
N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 413.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 166212710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).