5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide

C13H16ClFN2O2 — CID 117044843

IUPAC5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
SMILESO=C(NCCC1CNCCO1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O2/c14-9-1-2-12(15)11(7-9)13(18)17-4-3-10-8-16-5-6-19-10/h1-2,7,10,16H,3-6,8H2,(H,17,18)
InChIKeyPLLPXRYNDZNOSY-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.59
Rot. Bonds4

About 5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide

5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide (PubChem CID 117044843) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
PubChem CID117044843
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
SMILESO=C(NCCC1CNCCO1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O2/c14-9-1-2-12(15)11(7-9)13(18)17-4-3-10-8-16-5-6-19-10/h1-2,7,10,16H,3-6,8H2,(H,17,18)
InChIKeyPLLPXRYNDZNOSY-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-hydroxy-N-(morpholin-2-ylmethyl)benzamide
CID 115323836
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
CID 82772508
4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 114028076
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
2-[2-(5-chloro-2-fluorophenyl)ethyl]morpholine
CID 116868519
2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide
CID 113362862
4-fluoro-3-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 115239076
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide
CID 117044847

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide (CID 117044843) is 5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide is O=C(NCCC1CNCCO1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide?
The InChIKey is PLLPXRYNDZNOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c14-9-1-2-12(15)11(7-9)13(18)17-4-3-10-8-16-5-6-19-10/h1-2,7,10,16H,3-6,8H2,(H,17,18).
What are the key properties of 5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide?
5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide has a molecular weight of 286.73 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide is sourced from PubChem (CID 117044843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).