5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide

C13H16ClFN2O2 — CID 49094449

IUPAC5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCN1CCOC(CNC(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C13H16ClFN2O2/c1-17-4-5-19-10(8-17)7-16-13(18)11-6-9(14)2-3-12(11)15/h2-3,6,10H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyDASVENSXKIOBQB-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.54
Rot. Bonds3

About 5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide

5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide (PubChem CID 49094449) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
PubChem CID49094449
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCN1CCOC(CNC(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C13H16ClFN2O2/c1-17-4-5-19-10(8-17)7-16-13(18)11-6-9(14)2-3-12(11)15/h2-3,6,10H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyDASVENSXKIOBQB-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-5-nitrobenzamide
CID 79078973
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
2-chloro-6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094194
2-fluoro-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 80712225
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
CID 107031927
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-1H-indole-3-carboxamide
CID 154780869
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]pyridazine-3-carboxamide
CID 79083051
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide
CID 47086922
N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide
CID 49094694

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide (CID 49094449) is 5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide is CN1CCOC(CNC(=O)c2cc(Cl)ccc2F)C1.
What is the InChIKey of 5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The InChIKey is DASVENSXKIOBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-17-4-5-19-10(8-17)7-16-13(18)11-6-9(14)2-3-12(11)15/h2-3,6,10H,4-5,7-8H2,1H3,(H,16,18).
What are the key properties of 5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide has a molecular weight of 286.73 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 49094449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).