4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide

C13H17FN2O3 — CID 114468540

IUPAC4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide
SMILESNC(=O)c1ccc(F)c(COCC2CNCCO2)c1
InChIInChI=1S/C13H17FN2O3/c14-12-2-1-9(13(15)17)5-10(12)7-18-8-11-6-16-3-4-19-11/h1-2,5,11,16H,3-4,6-8H2,(H2,15,17)
InChIKeyCPOOEEJMYQXRRN-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.43
Rot. Bonds5

About 4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide

4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide (PubChem CID 114468540) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide
PubChem CID114468540
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide
SMILESNC(=O)c1ccc(F)c(COCC2CNCCO2)c1
InChIInChI=1S/C13H17FN2O3/c14-12-2-1-9(13(15)17)5-10(12)7-18-8-11-6-16-3-4-19-11/h1-2,5,11,16H,3-4,6-8H2,(H2,15,17)
InChIKeyCPOOEEJMYQXRRN-UHFFFAOYSA-N
XLogP0.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107906460
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335
2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107118745
3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide
CID 102668905
2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine
CID 114468447
2-[2-(5-chloro-2-fluorophenyl)ethyl]morpholine
CID 116868519
3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide
CID 64573984
3-(morpholin-2-ylmethylamino)-4-nitrobenzamide
CID 82995436
morpholin-2-ylmethyl benzoate;hydrochloride
CID 19777235
2-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 175701608
1-(4-chlorophenyl)-2-morpholin-2-ylethanone
CID 116586223
3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide
CID 62807937

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide?
The IUPAC name of 4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide (CID 114468540) is 4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide?
The canonical SMILES for 4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide is NC(=O)c1ccc(F)c(COCC2CNCCO2)c1.
What is the InChIKey of 4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide?
The InChIKey is CPOOEEJMYQXRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-12-2-1-9(13(15)17)5-10(12)7-18-8-11-6-16-3-4-19-11/h1-2,5,11,16H,3-4,6-8H2,(H2,15,17).
What are the key properties of 4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide?
4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide has a molecular weight of 268.29 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide is sourced from PubChem (CID 114468540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).